NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-(7-chloro-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethan-1-one
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IUPAC Traditional name
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2-(7-chloro-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
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Synonyms
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7-chloro-2-methyl-4-{2-oxo-2-[4-(2-pyridinylmethyl)-1-piperazinyl]ethyl}-2,3,4,5-tetrahydro-1,4-benzoxazepine
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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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1.2221525
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LogD (pH = 7.4)
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2.1333432
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Log P
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2.159851
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Molar Refractivity
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114.0023 cm3
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Polarizability
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44.615093 Å3
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Polar Surface Area
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48.91 Å2
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Rotatable Bonds
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4
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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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3.87
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LOG S
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-1.6
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Polar Surface Area
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48.91 Å2
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Rotatable Bonds
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4
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent