NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-[4-(2H-1,3-benzodioxol-5-yl)-2-({methyl[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino}methyl)phenoxy]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide
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IUPAC Traditional name
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2-[4-(2H-1,3-benzodioxol-5-yl)-2-({methyl[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino}methyl)phenoxy]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide
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Synonyms
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2-[4-(1,3-benzodioxol-5-yl)-2-({methyl[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino}methyl)phenoxy]-N-methyl-N-[(3-methyl-5-isoxazolyl)methyl]acetamide
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
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16.554083
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H Acceptors
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8
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H Donor
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0
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LogD (pH = 5.5)
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1.133601
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LogD (pH = 7.4)
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1.7921977
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Log P
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1.8123733
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Molar Refractivity
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139.2433 cm3
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Polarizability
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53.864525 Å3
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Polar Surface Area
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116.19 Å2
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Rotatable Bonds
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10
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Lipinski's Rule of Five
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false
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H Acceptors
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10
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H Donor
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0
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Log P
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2.12
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LOG S
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-2.69
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Polar Surface Area
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116.19 Å2
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Rotatable Bonds
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10
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent