ChemSpider 2D Image | N-{[4-({2-[(2,4-Dimethylphenyl)sulfanyl]ethyl}amino)-3-nitrophenyl]sulfonyl}-4'-fluoro-4-biphenylcarboxamide | C29H26FN3O5S2

N-{[4-({2-[(2,4-Dimethylphenyl)sulfanyl]ethyl}amino)-3-nitrophenyl]sulfonyl}-4'-fluoro-4-biphenylcarboxamide

  • Molecular FormulaC29H26FN3O5S2
  • Average mass579.662 Da
  • Monoisotopic mass579.129761 Da
  • ChemSpider ID3572052

More details:






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

[1,1'-Biphenyl]-4-carboxamide, N-[[4-[[2-[(2,4-dimethylphenyl)thio]ethyl]amino]-3-nitrophenyl]sulfonyl]-4'-fluoro- [ACD/Index Name]
4-({2-[(2,4-DIMETHYLPHENYL)SULFANYL]ETHYL}AMINO)-N-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CARBONYL]-3-NITROBENZENESULFONAMIDE
N-{[4-({2-[(2,4-Dimethylphenyl)sulfanyl]ethyl}amino)-3-nitrophenyl]sulfonyl}-4'-fluor-4-biphenylcarboxamid [German] [ACD/IUPAC Name]
N-{[4-({2-[(2,4-Dimethylphenyl)sulfanyl]ethyl}amino)-3-nitrophenyl]sulfonyl}-4'-fluoro-4-biphenylcarboxamide [ACD/IUPAC Name]
N-{[4-({2-[(2,4-Diméthylphényl)sulfanyl]éthyl}amino)-3-nitrophényl]sulfonyl}-4'-fluoro-4-biphénylcarboxamide [French] [ACD/IUPAC Name]
4EB

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.681
Molar Refractivity: 154.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 8.12
ACD/LogD (pH 5.5): 5.45
ACD/BCF (pH 5.5): 4008.61
ACD/KOC (pH 5.5): 5684.49
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 7.4): 819.60
ACD/KOC (pH 7.4): 1162.25
Polar Surface Area: 155 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 68.9±5.0 dyne/cm
Molar Volume: 408.4±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement