ChemSpider 2D Image | N-(4-Butylphenyl)-6-({[5-chloro-2-(methylsulfanyl)phenyl]acetyl}amino)hexanamide | C25H33ClN2O2S

N-(4-Butylphenyl)-6-({[5-chloro-2-(methylsulfanyl)phenyl]acetyl}amino)hexanamide

  • Molecular FormulaC25H33ClN2O2S
  • Average mass461.060 Da
  • Monoisotopic mass460.195129 Da
  • ChemSpider ID66815591

More details:

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

Benzeneacetamide, N-[6-[(4-butylphenyl)amino]-6-oxohexyl]-5-chloro-2-(methylthio)- [ACD/Index Name]
N-(4-Butylphenyl)-6-({[5-chlor-2-(methylsulfanyl)phenyl]acetyl}amino)hexanamid [German] [ACD/IUPAC Name]
N-(4-Butylphenyl)-6-({[5-chloro-2-(methylsulfanyl)phenyl]acetyl}amino)hexanamide [ACD/IUPAC Name]
N-(4-Butylphényl)-6-({2-[5-chloro-2-(méthylsulfanyl)phényl]acétyl}amino)hexanamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 692.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 372.5±31.5 °C
Index of Refraction: 1.584
Molar Refractivity: 132.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 6.03
ACD/LogD (pH 5.5): 5.84
ACD/BCF (pH 5.5): 16179.01
ACD/KOC (pH 5.5): 35838.66
ACD/LogD (pH 7.4): 5.84
ACD/BCF (pH 7.4): 16179.42
ACD/KOC (pH 7.4): 35839.57
Polar Surface Area: 84 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 50.3±5.0 dyne/cm
Molar Volume: 394.7±5.0 cm3

Click to predict properties on the Chemicalize site


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