NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(4-{8-azabicyclo[3.2.1]octan-3-yl}-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl)methanol
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IUPAC Traditional name
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(4-{8-azabicyclo[3.2.1]octan-3-yl}-5-isopropyl-1,2,4-triazol-3-yl)methanol
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Synonyms
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4-(3-Exo)-8-azabicyclo[3.2.1]oct-3-yl-5-(1-methylethyl)-4H-1,2,4-triazole-3-methanol
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Des[1-(4,4-difluorocyclohexanecarboxamido)-1-phenylpropyl]-3-hydroxymethyl Maraviroc
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CAS Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
Data Source
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Data ID
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Price
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TRC
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CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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13.832341
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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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-3.2809482
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LogD (pH = 7.4)
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-3.1576893
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Log P
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-0.040506463
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Molar Refractivity
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70.9485 cm3
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Polarizability
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27.054811 Å3
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Polar Surface Area
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62.97 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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DETAILS
DETAILS
TRC
PATENTS
PATENTS
PubChem Patent
Google Patent