NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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4-[(9aS)-octahydro-1H-pyrrolo[1,2-a][1,4]diazepin-2-yl]-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidine
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IUPAC Traditional name
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4-[(9aS)-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidine
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Synonyms
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(9aS)-2-(3,6-dimethylisoxazolo[5,4-d]pyrimidin-4-yl)octahydro-1H-pyrrolo[1,2-a][1,4]diazepine
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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)
H Acceptors
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5
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H Donor
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0
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LogD (pH = 5.5)
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-1.7488492
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LogD (pH = 7.4)
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-0.7049217
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Log P
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1.832816
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Molar Refractivity
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82.5293 cm3
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Polarizability
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30.857672 Å3
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Polar Surface Area
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58.29 Å2
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Rotatable Bonds
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1
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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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0
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Log P
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0.41
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LOG S
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-2.7
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Polar Surface Area
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58.29 Å2
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Rotatable Bonds
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1
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent