ChemSpider 2D Image | DEOXYBICALUTAMIDE | C18H14F4N2O3S

DEOXYBICALUTAMIDE

  • Molecular FormulaC18H14F4N2O3S
  • Average mass414.374 Da
  • Monoisotopic mass414.066132 Da
  • ChemSpider ID16163800

More details:

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

906008-94-4 [RN]
DEOXYBICALUTAMIDE
Deshydroxy Bicalutamide
N-[4-Cyan-3-(trifluormethyl)phenyl]-3-[(4-fluorphenyl)sulfonyl]-2-methylpropanamid [German] [ACD/IUPAC Name]
N-[4-Cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-methylpropanamide [ACD/IUPAC Name]
N-[4-Cyano-3-(trifluorométhyl)phényl]-3-[(4-fluorophényl)sulfonyl]-2-méthylpropanamide [French] [ACD/IUPAC Name]
Propanamide, N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-methyl- [ACD/Index Name]
DeshydroxyBicalutamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4533302/
MFCD18382259
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

UNII:ATU20DB5JB [DBID]
ATU20DB5JB [DBID]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 612.1±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 90.9±3.0 kJ/mol
    Flash Point: 324.0±31.5 °C
    Index of Refraction: 1.559
    Molar Refractivity: 92.2±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 4.37
    ACD/LogD (pH 5.5): 3.22
    ACD/BCF (pH 5.5): 164.58
    ACD/KOC (pH 5.5): 1343.05
    ACD/LogD (pH 7.4): 3.22
    ACD/BCF (pH 7.4): 164.58
    ACD/KOC (pH 7.4): 1343.03
    Polar Surface Area: 95 Å2
    Polarizability: 36.6±0.5 10-24cm3
    Surface Tension: 51.6±5.0 dyne/cm
    Molar Volume: 285.7±5.0 cm3

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