ChemSpider 2D Image | 4-[(4-Chlorophenyl)sulfanyl]-N-[1-oxo-1-(propylamino)-2-butanyl]-N-(2-phenylethyl)butanamide | C25H33ClN2O2S

4-[(4-Chlorophenyl)sulfanyl]-N-[1-oxo-1-(propylamino)-2-butanyl]-N-(2-phenylethyl)butanamide

  • Molecular FormulaC25H33ClN2O2S
  • Average mass461.060 Da
  • Monoisotopic mass460.195129 Da
  • ChemSpider ID68207119

More details:

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

4-[(4-Chlorophenyl)sulfanyl]-N-[1-oxo-1-(propylamino)-2-butanyl]-N-(2-phenylethyl)butanamide [ACD/IUPAC Name]
4-[(4-Chlorophényl)sulfanyl]-N-[1-oxo-1-(propylamino)-2-butanyl]-N-(2-phényléthyl)butanamide [French] [ACD/IUPAC Name]
4-[(4-Chlorphenyl)sulfanyl]-N-[1-oxo-1-(propylamino)-2-butanyl]-N-(2-phenylethyl)butanamid [German] [ACD/IUPAC Name]
Butanamide, 4-[(4-chlorophenyl)thio]-N-(2-phenylethyl)-N-[1-[(propylamino)carbonyl]propyl]- [ACD/Index Name]
2-{4-[(4-CHLOROPHENYL)SULFANYL]-N-(2-PHENYLETHYL)BUTANAMIDO}-N-PROPYLBUTANAMIDE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 652.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 348.4±31.5 °C
Index of Refraction: 1.584
Molar Refractivity: 132.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 6.20
ACD/LogD (pH 5.5): 5.65
ACD/BCF (pH 5.5): 11619.72
ACD/KOC (pH 5.5): 28278.45
ACD/LogD (pH 7.4): 5.65
ACD/BCF (pH 7.4): 11619.73
ACD/KOC (pH 7.4): 28278.48
Polar Surface Area: 75 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 50.1±5.0 dyne/cm
Molar Volume: 395.1±5.0 cm3

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