ChemSpider 2D Image | 5-Cyano-6-({2-[(4-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-N-phenyl-1,4-dihydro-3-pyridinecarboxamide | C31H30N4O4S

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

  • Molecular FormulaC31H30N4O4S
  • Average mass554.659 Da
  • Monoisotopic mass554.198792 Da
  • ChemSpider ID21597273

More details:

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

3-Pyridinecarboxamide, 5-cyano-6-[[2-[(4-ethylphenyl)amino]-2-oxoethyl]thio]-1,4-dihydro-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-N-phenyl- [ACD/Index Name]
5-Cyan-6-({2-[(4-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-N-phenyl-1,4-dihydro-3-pyridincarboxamid [German] [ACD/IUPAC Name]
5-Cyano-6-({2-[(4-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-N-phenyl-1,4-dihydro-3-pyridinecarboxamide [ACD/IUPAC Name]
5-Cyano-6-({2-[(4-éthylphényl)amino]-2-oxoéthyl}sulfanyl)-4-(4-hydroxy-3-méthoxyphényl)-2-méthyl-N-phényl-1,4-dihydro-3-pyridinecarboxamide [French] [ACD/IUPAC Name]
5-cyano-6-({2-[(4-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
5-Cyano-6-[(4-ethyl-phenylcarbamoyl)-methylsulfanyl]-4-(4-hydroxy-3-methoxy-phenyl)-2-methyl-1,4-dihydro-pyridine-3-carboxylic acid phenylamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 816.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.8±3.0 kJ/mol
Flash Point: 447.8±34.3 °C
Index of Refraction: 1.676
Molar Refractivity: 155.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.10
ACD/LogD (pH 5.5): 4.95
ACD/BCF (pH 5.5): 3384.43
ACD/KOC (pH 5.5): 11694.68
ACD/LogD (pH 7.4): 4.95
ACD/BCF (pH 7.4): 3371.81
ACD/KOC (pH 7.4): 11651.08
Polar Surface Area: 149 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 68.3±5.0 dyne/cm
Molar Volume: 413.8±5.0 cm3

Click to predict properties on the Chemicalize site


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