NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(4aR,8aR)-4-[1-ethyl-3-(propan-2-yl)-1H-pyrazole-5-carbonyl]-octahydro-2H-1,4-benzoxazine
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IUPAC Traditional name
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(4aR,8aR)-4-(2-ethyl-5-isopropylpyrazole-3-carbonyl)-octahydro-1,4-benzoxazine
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Synonyms
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(4aR*,8aR*)-4-[(1-ethyl-3-isopropyl-1H-pyrazol-5-yl)carbonyl]octahydro-2H-1,4-benzoxazine
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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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3
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H Donor
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0
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LogD (pH = 5.5)
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2.5466998
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LogD (pH = 7.4)
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2.5467672
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Log P
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2.5467682
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Molar Refractivity
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97.4101 cm3
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Polarizability
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33.000652 Å3
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Polar Surface Area
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47.36 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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3
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H Donor
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0
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Log P
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1.06
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LOG S
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-2.33
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Polar Surface Area
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47.36 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