NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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8-{2-[4-(hydroxymethyl)phenyl]acetyl}-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
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IUPAC Traditional name
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8-{2-[4-(hydroxymethyl)phenyl]acetyl}-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
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Synonyms
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8-{[4-(hydroxymethyl)phenyl]acetyl}-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-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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15.00748
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H Acceptors
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3
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H Donor
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1
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LogD (pH = 5.5)
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2.1354225
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LogD (pH = 7.4)
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2.1354227
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Log P
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2.1354227
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Molar Refractivity
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111.2274 cm3
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Polarizability
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43.20471 Å3
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Polar Surface Area
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60.85 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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3
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H Donor
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1
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Log P
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2.52
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LOG S
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-4.17
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Polar Surface Area
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60.85 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