NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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{9-benzyl-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,9-diazaspiro[5.5]undecan-1-yl}methanol
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IUPAC Traditional name
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{9-benzyl-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,9-diazaspiro[5.5]undecan-1-yl}methanol
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Synonyms
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{9-benzyl-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,9-diazaspiro[5.5]undec-1-yl}methanol
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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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14.891941
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H Acceptors
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4
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H Donor
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2
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LogD (pH = 5.5)
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-4.270499
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LogD (pH = 7.4)
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-0.97793555
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Log P
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1.9246181
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Molar Refractivity
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116.634 cm3
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Polarizability
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44.576637 Å3
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Polar Surface Area
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55.39 Å2
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Rotatable Bonds
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5
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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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2
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Log P
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2.0
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LOG S
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-2.69
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Polar Surface Area
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55.39 Å2
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Rotatable Bonds
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5
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent