ChemSpider 2D Image | 5-Cyano-N-(4-ethylphenyl)-4-(2-furyl)-2-methyl-6-({2-[(2-methyl-4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydro-3-pyridinecarboxamide | C29H27N5O5S

5-Cyano-N-(4-ethylphenyl)-4-(2-furyl)-2-methyl-6-({2-[(2-methyl-4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydro-3-pyridinecarboxamide

  • Molecular FormulaC29H27N5O5S
  • Average mass557.620 Da
  • Monoisotopic mass557.173279 Da
  • ChemSpider ID21597164

More details:

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

3-Pyridinecarboxamide, 5-cyano-N-(4-ethylphenyl)-4-(2-furanyl)-1,4-dihydro-2-methyl-6-[[2-[(2-methyl-4-nitrophenyl)amino]-2-oxoethyl]thio]- [ACD/Index Name]
5-Cyan-N-(4-ethylphenyl)-4-(2-furyl)-2-methyl-6-({2-[(2-methyl-4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydro-3-pyridincarboxamid [German] [ACD/IUPAC Name]
5-Cyano-N-(4-ethylphenyl)-4-(2-furyl)-2-methyl-6-({2-[(2-methyl-4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydro-3-pyridinecarboxamide [ACD/IUPAC Name]
5-Cyano-N-(4-éthylphényl)-4-(2-furyl)-2-méthyl-6-({2-[(2-méthyl-4-nitrophényl)amino]-2-oxoéthyl}sulfanyl)-1,4-dihydro-3-pyridinecarboxamide [French] [ACD/IUPAC Name]
5-Cyano-4-furan-2-yl-2-methyl-6-[(2-methyl-4-nitro-phenylcarbamoyl)-methylsulfanyl]-1,4-dihydro-pyridine-3-carboxylic acid (4-ethyl-phenyl)-amide
5-cyano-N-(4-ethylphenyl)-4-(furan-2-yl)-2-methyl-6-({2-[(2-methyl-4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydropyridine-3-carboxamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 804.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.0±3.0 kJ/mol
Flash Point: 440.4±34.3 °C
Index of Refraction: 1.669
Molar Refractivity: 150.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 6.33
ACD/LogD (pH 5.5): 5.50
ACD/BCF (pH 5.5): 8945.72
ACD/KOC (pH 5.5): 23450.57
ACD/LogD (pH 7.4): 5.50
ACD/BCF (pH 7.4): 8945.89
ACD/KOC (pH 7.4): 23451.01
Polar Surface Area: 178 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 69.2±5.0 dyne/cm
Molar Volume: 404.5±5.0 cm3

Click to predict properties on the Chemicalize site


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