ChemSpider 2D Image | N-[3-(Benzylsulfanyl)-1-({2-hydroxy-3-[methyl(phenylsulfonyl)amino]propyl}amino)-1-oxo-2-propanyl]-3,4,5-trimethoxybenzamide | C30H37N3O8S2

N-[3-(Benzylsulfanyl)-1-({2-hydroxy-3-[methyl(phenylsulfonyl)amino]propyl}amino)-1-oxo-2-propanyl]-3,4,5-trimethoxybenzamide

  • Molecular FormulaC30H37N3O8S2
  • Average mass631.760 Da
  • Monoisotopic mass631.202209 Da
  • ChemSpider ID120991035

More details:

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

Benzamide, N-[2-[[2-hydroxy-3-[methyl(phenylsulfonyl)amino]propyl]amino]-2-oxo-1-[[(phenylmethyl)thio]methyl]ethyl]-3,4,5-trimethoxy- [ACD/Index Name]
N-[3-(Benzylsulfanyl)-1-({2-hydroxy-3-[methyl(phenylsulfonyl)amino]propyl}amino)-1-oxo-2-propanyl]-3,4,5-trimethoxybenzamid [German] [ACD/IUPAC Name]
N-[3-(Benzylsulfanyl)-1-({2-hydroxy-3-[methyl(phenylsulfonyl)amino]propyl}amino)-1-oxo-2-propanyl]-3,4,5-trimethoxybenzamide [ACD/IUPAC Name]
N-[3-(Benzylsulfanyl)-1-({2-hydroxy-3-[méthyl(phénylsulfonyl)amino]propyl}amino)-1-oxo-2-propanyl]-3,4,5-triméthoxybenzamide [French] [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: 1.596
Molar Refractivity: 166.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 87.59
ACD/KOC (pH 5.5): 855.11
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 87.59
ACD/KOC (pH 7.4): 855.09
Polar Surface Area: 177 Å2
Polarizability: 66.1±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 489.6±3.0 cm3

Click to predict properties on the Chemicalize site


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