NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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7-(2-hydroxyethyl)-2-{2-[(3-methyl-1H-1,2,4-triazol-5-yl)sulfanyl]acetyl}-2,7-diazaspiro[4.5]decan-6-one
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IUPAC Traditional name
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7-(2-hydroxyethyl)-2-{2-[(5-methyl-2H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-2,7-diazaspiro[4.5]decan-6-one
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Synonyms
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7-(2-hydroxyethyl)-2-{[(3-methyl-1H-1,2,4-triazol-5-yl)thio]acetyl}-2,7-diazaspiro[4.5]decan-6-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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8.308698
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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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-0.33319134
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LogD (pH = 7.4)
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-0.38155192
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Log P
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-0.3325231
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Molar Refractivity
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92.5291 cm3
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Polarizability
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34.87172 Å3
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Polar Surface Area
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102.42 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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5
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H Donor
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2
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Log P
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-0.35
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LOG S
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-2.79
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Polar Surface Area
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102.42 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