NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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7-(1-benzothiophen-3-yl)-4-(pyridine-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-9-ol
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IUPAC Traditional name
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7-(1-benzothiophen-3-yl)-4-(pyridine-3-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepin-9-ol
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Synonyms
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7-(1-benzothien-3-yl)-4-(pyridin-3-ylcarbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-9-ol
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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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9.597962
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H Acceptors
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4
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H Donor
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1
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LogD (pH = 5.5)
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3.663582
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LogD (pH = 7.4)
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3.66574
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Log P
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3.6685276
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Molar Refractivity
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112.3369 cm3
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Polarizability
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45.05176 Å3
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Polar Surface Area
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62.66 Å2
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Rotatable Bonds
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2
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Lipinski's Rule of Five
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true
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H Acceptors
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4
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H Donor
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1
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Log P
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3.62
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LOG S
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-5.22
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Polar Surface Area
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62.66 Å2
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Rotatable Bonds
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2
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent