ChemSpider 2D Image | N-{1-[(3-{[(3-Chlorophenyl)sulfonyl](methyl)amino}-2-hydroxypropyl)amino]-4-(methylsulfanyl)-1-oxo-2-butanyl}-3-phenoxybenzamide | C28H32ClN3O6S2

N-{1-[(3-{[(3-Chlorophenyl)sulfonyl](methyl)amino}-2-hydroxypropyl)amino]-4-(methylsulfanyl)-1-oxo-2-butanyl}-3-phenoxybenzamide

  • Molecular FormulaC28H32ClN3O6S2
  • Average mass606.153 Da
  • Monoisotopic mass605.142090 Da
  • ChemSpider ID121061902

More details:

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

Benzamide, N-[1-[[[3-[[(3-chlorophenyl)sulfonyl]methylamino]-2-hydroxypropyl]amino]carbonyl]-3-(methylthio)propyl]-3-phenoxy- [ACD/Index Name]
N-{1-[(3-{[(3-Chlorophenyl)sulfonyl](methyl)amino}-2-hydroxypropyl)amino]-4-(methylsulfanyl)-1-oxo-2-butanyl}-3-phenoxybenzamide [ACD/IUPAC Name]
N-{1-[(3-{[(3-Chlorophényl)sulfonyl](méthyl)amino}-2-hydroxypropyl)amino]-4-(méthylsulfanyl)-1-oxo-2-butanyl}-3-phénoxybenzamide [French] [ACD/IUPAC Name]
N-{1-[(3-{[(3-Chlorphenyl)sulfonyl](methyl)amino}-2-hydroxypropyl)amino]-4-(methylsulfanyl)-1-oxo-2-butanyl}-3-phenoxybenzamid [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.613
Molar Refractivity: 158.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 5.62
ACD/LogD (pH 5.5): 4.76
ACD/BCF (pH 5.5): 2448.31
ACD/KOC (pH 5.5): 9275.70
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 7.4): 2448.29
ACD/KOC (pH 7.4): 9275.62
Polar Surface Area: 159 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 55.7±3.0 dyne/cm
Molar Volume: 456.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement