ChemSpider 2D Image | N-{3-(Benzylsulfanyl)-1-[(3-{[(3-chlorophenyl)sulfonyl](methyl)amino}-2-hydroxypropyl)amino]-1-oxo-2-propanyl}-3-methoxybenzamide | C28H32ClN3O6S2

N-{3-(Benzylsulfanyl)-1-[(3-{[(3-chlorophenyl)sulfonyl](methyl)amino}-2-hydroxypropyl)amino]-1-oxo-2-propanyl}-3-methoxybenzamide

  • Molecular FormulaC28H32ClN3O6S2
  • Average mass606.153 Da
  • Monoisotopic mass605.142090 Da
  • ChemSpider ID121018920

More details:

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

Benzamide, N-[2-[[3-[[(3-chlorophenyl)sulfonyl]methylamino]-2-hydroxypropyl]amino]-2-oxo-1-[[(phenylmethyl)thio]methyl]ethyl]-3-methoxy- [ACD/Index Name]
N-{3-(Benzylsulfanyl)-1-[(3-{[(3-chlorophenyl)sulfonyl](methyl)amino}-2-hydroxypropyl)amino]-1-oxo-2-propanyl}-3-methoxybenzamide [ACD/IUPAC Name]
N-{3-(Benzylsulfanyl)-1-[(3-{[(3-chlorophényl)sulfonyl](méthyl)amino}-2-hydroxypropyl)amino]-1-oxo-2-propanyl}-3-méthoxybenzamide [French] [ACD/IUPAC Name]
N-{3-(Benzylsulfanyl)-1-[(3-{[(3-chlorphenyl)sulfonyl](methyl)amino}-2-hydroxypropyl)amino]-1-oxo-2-propanyl}-3-methoxybenzamid [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: 1.617
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: 5.52
ACD/LogD (pH 5.5): 4.41
ACD/BCF (pH 5.5): 1322.07
ACD/KOC (pH 5.5): 5967.50
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1322.06
ACD/KOC (pH 7.4): 5967.47
Polar Surface Area: 159 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 56.9±3.0 dyne/cm
Molar Volume: 453.6±3.0 cm3

Click to predict properties on the Chemicalize site


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