NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1-[2-(ethoxymethyl)-4-(4-hydroxypiperidin-1-yl)-5H,6H,7H,8H,9H-pyrimido[4,5-d]azepin-7-yl]ethan-1-one
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IUPAC Traditional name
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1-[2-(ethoxymethyl)-4-(4-hydroxypiperidin-1-yl)-5H,6H,8H,9H-pyrimido[4,5-d]azepin-7-yl]ethanone
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Synonyms
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1-[7-acetyl-2-(ethoxymethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl]piperidin-4-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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15.177715
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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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0.4697199
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LogD (pH = 7.4)
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0.47187534
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Log P
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0.4719029
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Molar Refractivity
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97.3158 cm3
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Polarizability
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36.54517 Å3
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Polar Surface Area
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78.79 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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1
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Log P
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0.25
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LOG S
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-3.26
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Polar Surface Area
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78.79 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