ChemSpider 2D Image | GSK-424887 | C27H30ClFN2O

GSK-424887

  • Molecular FormulaC27H30ClFN2O
  • Average mass452.991 Da
  • Monoisotopic mass452.203064 Da
  • ChemSpider ID32699912

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-Piperidineacetamide, N-[(1S)-1-(3-chloro-1-naphthalenyl)ethyl]-4-(4-fluorophenyl)-N,1-dimethyl- [ACD/Index Name]
GSK-424887
IYI99KCF2T
N-[(1S)-1-(3-Chlor-1-naphthyl)ethyl]-2-[4-(4-fluorphenyl)-1-methyl-4-piperidinyl]-N-methylacetamid [German] [ACD/IUPAC Name]
N-[(1S)-1-(3-Chloro-1-naphthyl)ethyl]-2-[4-(4-fluorophenyl)-1-methyl-4-piperidinyl]-N-methylacetamide [ACD/IUPAC Name]
N-[(1S)-1-(3-Chloro-1-naphtyl)éthyl]-2-[4-(4-fluorophényl)-1-méthyl-4-pipéridinyl]-N-méthylacétamide [French] [ACD/IUPAC Name]
UNII:IYI99KCF2T
UNII-IYI99KCF2T

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

Density: 1.2±0.1 g/cm3
Boiling Point: 576.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.3±3.0 kJ/mol
Flash Point: 302.6±30.1 °C
Index of Refraction: 1.593
Molar Refractivity: 129.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.41
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 25.18
ACD/KOC (pH 5.5): 61.74
ACD/LogD (pH 7.4): 4.65
ACD/BCF (pH 7.4): 1165.09
ACD/KOC (pH 7.4): 2855.94
Polar Surface Area: 24 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 383.3±3.0 cm3

Click to predict properties on the Chemicalize site


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