ChemSpider 2D Image | 1-{Butyl[(4-chlorophenyl)carbamoyl]amino}-N-[3-fluoro-2'-(methylsulfonyl)-4-biphenylyl]cyclopropanecarboxamide | C28H29ClFN3O4S

1-{Butyl[(4-chlorophenyl)carbamoyl]amino}-N-[3-fluoro-2'-(methylsulfonyl)-4-biphenylyl]cyclopropanecarboxamide

  • Molecular FormulaC28H29ClFN3O4S
  • Average mass558.064 Da
  • Monoisotopic mass557.155151 Da
  • ChemSpider ID20572547

More details:

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

1-(butyl{[(4-chlorophenyl)amino]carbonyl}amino)-N-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]cyclopropanecarboxamide
1-{Butyl[(4-chlorophenyl)carbamoyl]amino}-N-[3-fluoro-2'-(methylsulfonyl)-4-biphenylyl]cyclopropanecarboxamide [ACD/IUPAC Name]
1-{Butyl[(4-chlorophényl)carbamoyl]amino}-N-[3-fluoro-2'-(méthylsulfonyl)-4-biphénylyl]cyclopropanecarboxamide [French] [ACD/IUPAC Name]
1-{Butyl[(4-chlorphenyl)carbamoyl]amino}-N-[3-fluor-2'-(methylsulfonyl)-4-biphenylyl]cyclopropancarboxamid [German] [ACD/IUPAC Name]
Cyclopropanecarboxamide, 1-[butyl[[(4-chlorophenyl)amino]carbonyl]amino]-N-[3-fluoro-2'-(methylsulfonyl)[1,1'-biphenyl]-4-yl]- [ACD/Index Name]
FXI

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

Density: 1.4±0.1 g/cm3
Boiling Point: 804.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 116.9±3.0 kJ/mol
Flash Point: 440.2±34.3 °C
Index of Refraction: 1.644
Molar Refractivity: 145.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.46
ACD/LogD (pH 5.5): 4.61
ACD/BCF (pH 5.5): 1877.82
ACD/KOC (pH 5.5): 7671.47
ACD/LogD (pH 7.4): 4.61
ACD/BCF (pH 7.4): 1877.82
ACD/KOC (pH 7.4): 7671.48
Polar Surface Area: 104 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 62.9±5.0 dyne/cm
Molar Volume: 402.2±5.0 cm3

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