NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1-[(3R,4R)-3-(hydroxymethyl)-4-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrrolidin-1-yl]-2-(4H-1,2,4-triazol-4-yl)ethan-1-one
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IUPAC Traditional name
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1-[(3R,4R)-3-(hydroxymethyl)-4-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrrolidin-1-yl]-2-(1,2,4-triazol-4-yl)ethanone
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Synonyms
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[(3R*,4R*)-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-1-(4H-1,2,4-triazol-4-ylacetyl)-3-pyrrolidinyl]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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15.417339
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H Acceptors
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6
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H Donor
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1
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LogD (pH = 5.5)
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-6.4413404
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LogD (pH = 7.4)
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-4.900817
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Log P
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-2.8022819
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Molar Refractivity
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94.6122 cm3
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Polarizability
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35.49768 Å3
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Polar Surface Area
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77.73 Å2
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Rotatable Bonds
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5
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Lipinski's Rule of Five
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true
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H Acceptors
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6
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H Donor
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1
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Log P
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-2.13
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LOG S
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-1.14
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Polar Surface Area
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77.73 Å2
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Rotatable Bonds
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5
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent