NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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[4-({1-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]pyrrolidin-3-yl}methyl)phenyl]methanol
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IUPAC Traditional name
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[4-({1-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]pyrrolidin-3-yl}methyl)phenyl]methanol
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Synonyms
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[4-({1-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]pyrrolidin-3-yl}methyl)phenyl]methanol
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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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15.051079
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H Acceptors
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5
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H Donor
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1
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LogD (pH = 5.5)
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-0.04204916
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LogD (pH = 7.4)
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1.6891415
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Log P
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2.9118567
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Molar Refractivity
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110.4112 cm3
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Polarizability
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42.809685 Å3
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Polar Surface Area
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51.16 Å2
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Rotatable Bonds
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6
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Lipinski's Rule of Five
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true
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H Acceptors
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5
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H Donor
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1
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Log P
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2.94
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LOG S
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-3.5
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Polar Surface Area
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51.16 Å2
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Rotatable Bonds
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6
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent