ChemSpider 2D Image | ABC294640 | C23H25ClN2O

ABC294640

  • Molecular FormulaC23H25ClN2O
  • Average mass380.910 Da
  • Monoisotopic mass380.165527 Da
  • ChemSpider ID58801374

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1s,3r,5R,7S)-3-(4-Chlorophenyl)-N-(4-pyridinylmethyl)-1-adamantanecarboxamide [ACD/IUPAC Name]
(1s,3r,5R,7S)-3-(4-Chlorophényl)-N-(4-pyridinylméthyl)-1-adamantanecarboxamide [French] [ACD/IUPAC Name]
(1s,3r,5R,7S)-3-(4-Chlorphenyl)-N-(4-pyridinylmethyl)-1-adamantancarboxamid [German] [ACD/IUPAC Name]
915385-81-8 [RN]
ABC294640
Tricyclo[3.3.1.13,7]decane-1-carboxamide, 3-(4-chlorophenyl)-N-(4-pyridinylmethyl)-, (5R,7S)- [ACD/Index Name]
3-(4-chlorophenyl)-N-(4-pyridinylmethyl)-tricyclo[3.3.1.13,7]decane-1-carboxamide
915385-81-8 (free base)
MFCD22666355

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

Density: 1.3±0.1 g/cm3
Boiling Point: 589.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.0±3.0 kJ/mol
Flash Point: 310.3±30.1 °C
Index of Refraction: 1.632
Molar Refractivity: 106.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.16
ACD/LogD (pH 5.5): 4.65
ACD/BCF (pH 5.5): 1816.64
ACD/KOC (pH 5.5): 6672.73
ACD/LogD (pH 7.4): 4.82
ACD/BCF (pH 7.4): 2712.89
ACD/KOC (pH 7.4): 9964.74
Polar Surface Area: 42 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 57.7±3.0 dyne/cm
Molar Volume: 299.1±3.0 cm3

Click to predict properties on the Chemicalize site


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