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Search term: WHXOBXASPVNSAM-OAQYLSRUSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4'-Fluoro-6-[(5R)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-5-yl]-3-biphenylcarbonitrile | C21H18FN3

4'-Fluoro-6-[(5R)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-5-yl]-3-biphenylcarbonitrile

  • Molecular FormulaC21H18FN3
  • Average mass331.386 Da
  • Monoisotopic mass331.148468 Da
  • ChemSpider ID31126357

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

[1,1'-Biphenyl]-3-carbonitrile, 4'-fluoro-6-[(5R)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-5-yl]- [ACD/Index Name]
4'-Fluor-6-[(5R)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-5-yl]-3-biphenylcarbonitril [German] [ACD/IUPAC Name]
4'-Fluoro-6-[(5R)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-5-yl]-3-biphenylcarbonitrile [ACD/IUPAC Name]
4'-Fluoro-6-[(5R)-6,7,8,9-tétrahydro-5H-imidazo[1,5-a]azépin-5-yl]-3-biphénylcarbonitrile [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 558.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.1±3.0 kJ/mol
Flash Point: 291.8±30.1 °C
Index of Refraction: 1.640
Molar Refractivity: 97.9±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.75
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 37.71
ACD/KOC (pH 5.5): 196.05
ACD/LogD (pH 7.4): 4.02
ACD/BCF (pH 7.4): 631.30
ACD/KOC (pH 7.4): 3282.49
Polar Surface Area: 42 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 45.9±7.0 dyne/cm
Molar Volume: 271.7±7.0 cm3

Click to predict properties on the Chemicalize site


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