ChemSpider 2D Image | 2HV668N62T | C24H23Cl2N3O

2HV668N62T

  • Molecular FormulaC24H23Cl2N3O
  • Average mass440.365 Da
  • Monoisotopic mass439.121826 Da
  • ChemSpider ID32701876

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3-exo)-8-[Bis(2-chlorophenyl)methyl]-3-(2-pyrimidinyl)-8-azabicyclo[3.2.1]octan-3-ol [ACD/IUPAC Name]
(3-exo)-8-[Bis(2-chlorophényl)méthyl]-3-(2-pyrimidinyl)-8-azabicyclo[3.2.1]octan-3-ol [French] [ACD/IUPAC Name]
(3-exo)-8-[Bis(2-chlorphenyl)methyl]-3-(2-pyrimidinyl)-8-azabicyclo[3.2.1]octan-3-ol [German] [ACD/IUPAC Name]
2HV668N62T
524019-25-8 [RN]
8-Azabicyclo[3.2.1]octan-3-ol, 8-[bis(2-chlorophenyl)methyl]-3-(2-pyrimidinyl)-, (3-exo) [ACD/Index Name]
SCH-486757
UNII:2HV668N62T
UNII-2HV668N62T

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

Density: 1.4±0.1 g/cm3
Boiling Point: 568.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 297.9±30.1 °C
Index of Refraction: 1.653
Molar Refractivity: 119.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.85
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 15.88
ACD/KOC (pH 5.5): 97.39
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 332.82
ACD/KOC (pH 7.4): 2040.85
Polar Surface Area: 49 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 61.1±3.0 dyne/cm
Molar Volume: 326.1±3.0 cm3

Click to predict properties on the Chemicalize site


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