NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1-[5-({[(5-chlorothiophen-2-yl)methyl]amino}methyl)-2-methoxyphenoxy]-3-(pyrrolidin-1-yl)propan-2-ol
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IUPAC Traditional name
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1-[5-({[(5-chlorothiophen-2-yl)methyl]amino}methyl)-2-methoxyphenoxy]-3-(pyrrolidin-1-yl)propan-2-ol
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Synonyms
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1-[5-({[(5-chloro-2-thienyl)methyl]amino}methyl)-2-methoxyphenoxy]-3-(1-pyrrolidinyl)-2-propanol
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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)
LogD (pH = 7.4)
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1.1303036
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Log P
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3.4177544
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Molar Refractivity
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109.2222 cm3
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Polarizability
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43.21904 Å3
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Polar Surface Area
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53.96 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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true
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Acid pKa
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14.078949
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H Acceptors
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5
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H Donor
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2
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LogD (pH = 5.5)
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-2.2627103
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Log P
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2.65
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LOG S
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-3.4
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Polar Surface Area
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53.96 Å2
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Rotatable Bonds
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9
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H Acceptors
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5
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H Donor
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2
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent