ChemSpider 2D Image | N-[2-({2-Hydroxy-3-[methyl(phenylsulfonyl)amino]propyl}amino)-2-oxo-1-phenylethyl]-4,5-dimethoxy-2-nitrobenzamide | C27H30N4O9S

N-[2-({2-Hydroxy-3-[methyl(phenylsulfonyl)amino]propyl}amino)-2-oxo-1-phenylethyl]-4,5-dimethoxy-2-nitrobenzamide

  • Molecular FormulaC27H30N4O9S
  • Average mass586.614 Da
  • Monoisotopic mass586.173340 Da
  • ChemSpider ID121150593

More details:

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

Benzeneacetamide, α-[(4,5-dimethoxy-2-nitrobenzoyl)amino]-N-[2-hydroxy-3-[methyl(phenylsulfonyl)amino]propyl]- [ACD/Index Name]
N-[2-({2-Hydroxy-3-[methyl(phenylsulfonyl)amino]propyl}amino)-2-oxo-1-phenylethyl]-4,5-dimethoxy-2-nitrobenzamid [German] [ACD/IUPAC Name]
N-[2-({2-Hydroxy-3-[methyl(phenylsulfonyl)amino]propyl}amino)-2-oxo-1-phenylethyl]-4,5-dimethoxy-2-nitrobenzamide [ACD/IUPAC Name]
N-[2-({2-Hydroxy-3-[méthyl(phénylsulfonyl)amino]propyl}amino)-2-oxo-1-phényléthyl]-4,5-diméthoxy-2-nitrobenzamide [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: 1.608
Molar Refractivity: 149.1±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 51.62
ACD/KOC (pH 5.5): 585.63
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 51.60
ACD/KOC (pH 7.4): 585.51
Polar Surface Area: 188 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 58.6±3.0 dyne/cm
Molar Volume: 430.9±3.0 cm3

Click to predict properties on the Chemicalize site


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