NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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9-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one
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IUPAC Traditional name
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9-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one
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Synonyms
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9-(2-chloro-3,4-dimethoxybenzyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one
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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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13.128326
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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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-1.4193101
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LogD (pH = 7.4)
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0.58854425
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Log P
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1.1814898
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Molar Refractivity
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98.6573 cm3
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Polarizability
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38.49607 Å3
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Polar Surface Area
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54.04 Å2
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Rotatable Bonds
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4
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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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1.35
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LOG S
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-3.04
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Polar Surface Area
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54.04 Å2
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Rotatable Bonds
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4
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent