ChemSpider 2D Image | fosdevirine | C20H17ClN3O3P

fosdevirine

  • Molecular FormulaC20H17ClN3O3P
  • Average mass413.794 Da
  • Monoisotopic mass413.069611 Da
  • ChemSpider ID32701774

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-(2-Carbamoyl-5-chloro-1H-indol-3-yl){3-[(E)-2-cyanovinyl]-5-méthylphényl}phosphinate de méthyle [French] [ACD/IUPAC Name]
fosdevirine [INN] [USAN]
Methyl (S)-(2-carbamoyl-5-chloro-1H-indol-3-yl){3-[(E)-2-cyanovinyl]-5-methylphenyl}phosphinate [ACD/IUPAC Name]
Methyl-(S)-(2-carbamoyl-5-chlor-1H-indol-3-yl){3-[(E)-2-cyanvinyl]-5-methylphenyl}phosphinat [German] [ACD/IUPAC Name]
Phosphinic acid, P-[2-(aminocarbonyl)-5-chloro-1H-indol-3-yl]-P-[3-[(E)-2-cyanoethenyl]-5-methylphenyl]-, methyl ester, (S)- [ACD/Index Name]
1018450-26-4 [RN]
UNII:Z4I0C281BJ
UNII-Z4I0C281BJ

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

Density: 1.4±0.1 g/cm3
Boiling Point: 686.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.6±3.0 kJ/mol
Flash Point: 368.9±34.3 °C
Index of Refraction: 1.664
Molar Refractivity: 107.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 103.75
ACD/KOC (pH 5.5): 965.27
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 103.75
ACD/KOC (pH 7.4): 965.25
Polar Surface Area: 119 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 70.0±5.0 dyne/cm
Molar Volume: 290.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement