NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-{2-[(4aS,8aR)-decahydroisoquinolin-2-yl]-2-oxoethyl}-5-(dimethylamino)-2,3-dihydropyridazin-3-one
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IUPAC Traditional name
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2-{2-[(4aS,8aR)-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl}-5-(dimethylamino)pyridazin-3-one
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Synonyms
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5-(dimethylamino)-2-{2-[(4aS*,8aR*)-octahydroisoquinolin-2(1H)-yl]-2-oxoethyl}pyridazin-3(2H)-one
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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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15.613063
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H Acceptors
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4
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H Donor
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0
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LogD (pH = 5.5)
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0.6484884
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LogD (pH = 7.4)
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0.6484887
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Log P
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0.6484887
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Molar Refractivity
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90.814 cm3
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Polarizability
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33.910946 Å3
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Polar Surface Area
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56.22 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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1.79
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LOG S
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-3.05
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Polar Surface Area
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58.44 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