ChemSpider 2D Image | N-{2-[(3-{[(3-Chlorophenyl)sulfonyl](methyl)amino}-2-hydroxypropyl)amino]-2-oxo-1-phenylethyl}-4,5-dimethoxy-2-nitrobenzamide | C27H29ClN4O9S

N-{2-[(3-{[(3-Chlorophenyl)sulfonyl](methyl)amino}-2-hydroxypropyl)amino]-2-oxo-1-phenylethyl}-4,5-dimethoxy-2-nitrobenzamide

  • Molecular FormulaC27H29ClN4O9S
  • Average mass621.059 Da
  • Monoisotopic mass620.134399 Da
  • ChemSpider ID121151084

More details:

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

Benzeneacetamide, N-[3-[[(3-chlorophenyl)sulfonyl]methylamino]-2-hydroxypropyl]-α-[(4,5-dimethoxy-2-nitrobenzoyl)amino]- [ACD/Index Name]
N-{2-[(3-{[(3-Chlorophenyl)sulfonyl](methyl)amino}-2-hydroxypropyl)amino]-2-oxo-1-phenylethyl}-4,5-dimethoxy-2-nitrobenzamide [ACD/IUPAC Name]
N-{2-[(3-{[(3-Chlorophényl)sulfonyl](méthyl)amino}-2-hydroxypropyl)amino]-2-oxo-1-phényléthyl}-4,5-diméthoxy-2-nitrobenzamide [French] [ACD/IUPAC Name]
N-{2-[(3-{[(3-Chlorphenyl)sulfonyl](methyl)amino}-2-hydroxypropyl)amino]-2-oxo-1-phenylethyl}-4,5-dimethoxy-2-nitrobenzamid [German] [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: 1.612
Molar Refractivity: 153.9±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 5.16
ACD/LogD (pH 5.5): 3.03
ACD/BCF (pH 5.5): 118.53
ACD/KOC (pH 5.5): 1061.83
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 118.51
ACD/KOC (pH 7.4): 1061.61
Polar Surface Area: 188 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 59.3±3.0 dyne/cm
Molar Volume: 442.8±3.0 cm3

Click to predict properties on the Chemicalize site


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