ChemSpider 2D Image | N-[3-(Benzylsulfanyl)-1-{[2-(1,2-dimethyl-1H-imidazol-4-yl)ethyl]amino}-1-oxo-2-propanyl]-2-chloro-5-(4-morpholinylsulfonyl)benzamide | C28H34ClN5O5S2

N-[3-(Benzylsulfanyl)-1-{[2-(1,2-dimethyl-1H-imidazol-4-yl)ethyl]amino}-1-oxo-2-propanyl]-2-chloro-5-(4-morpholinylsulfonyl)benzamide

  • Molecular FormulaC28H34ClN5O5S2
  • Average mass620.183 Da
  • Monoisotopic mass619.169006 Da
  • ChemSpider ID121075958

More details:

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

Benzamide, 2-chloro-N-[2-[[2-(1,2-dimethyl-1H-imidazol-4-yl)ethyl]amino]-2-oxo-1-[[(phenylmethyl)thio]methyl]ethyl]-5-(4-morpholinylsulfonyl)- [ACD/Index Name]
N-[3-(Benzylsulfanyl)-1-{[2-(1,2-dimethyl-1H-imidazol-4-yl)ethyl]amino}-1-oxo-2-propanyl]-2-chlor-5-(4-morpholinylsulfonyl)benzamid [German] [ACD/IUPAC Name]
N-[3-(Benzylsulfanyl)-1-{[2-(1,2-dimethyl-1H-imidazol-4-yl)ethyl]amino}-1-oxo-2-propanyl]-2-chloro-5-(4-morpholinylsulfonyl)benzamide [ACD/IUPAC Name]
N-[3-(Benzylsulfanyl)-1-{[2-(1,2-diméthyl-1H-imidazol-4-yl)éthyl]amino}-1-oxo-2-propanyl]-2-chloro-5-(4-morpholinylsulfonyl)benzamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.651
Molar Refractivity: 163.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 2.83
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 1.83
ACD/KOC (pH 5.5): 14.81
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 64.89
ACD/KOC (pH 7.4): 524.16
Polar Surface Area: 156 Å2
Polarizability: 64.8±0.5 10-24cm3
Surface Tension: 55.0±7.0 dyne/cm
Molar Volume: 447.6±7.0 cm3

Click to predict properties on the Chemicalize site


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