NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-{1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl}ethan-1-one
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IUPAC Traditional name
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2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-{1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl}ethanone
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Synonyms
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5-{[2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undec-4-yl)-2-oxoethyl]thio}-1,3,4-thiadiazol-2-amine
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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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14.4504175
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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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-4.110109
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LogD (pH = 7.4)
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-2.0526085
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Log P
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-0.47916356
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Molar Refractivity
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97.0337 cm3
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Polarizability
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36.40884 Å3
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Polar Surface Area
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78.59 Å2
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Rotatable Bonds
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3
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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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1.36
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LOG S
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-2.96
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Polar Surface Area
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78.59 Å2
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Rotatable Bonds
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3
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent