ChemSpider 2D Image | 5-Cyano-6-{[2-(3,4-dihydro-1(2H)-quinolinyl)-2-oxoethyl]sulfanyl}-N-(2-methoxyphenyl)-2-methyl-4-(5-methyl-2-furyl)-1,4-dihydro-3-pyridinecarboxamide | C31H30N4O4S

5-Cyano-6-{[2-(3,4-dihydro-1(2H)-quinolinyl)-2-oxoethyl]sulfanyl}-N-(2-methoxyphenyl)-2-methyl-4-(5-methyl-2-furyl)-1,4-dihydro-3-pyridinecarboxamide

  • Molecular FormulaC31H30N4O4S
  • Average mass554.659 Da
  • Monoisotopic mass554.198792 Da
  • ChemSpider ID3241368

More details:

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

3-Pyridinecarboxamide, 5-cyano-6-[[2-(3,4-dihydro-1(2H)-quinolinyl)-2-oxoethyl]thio]-1,4-dihydro-N-(2-methoxyphenyl)-2-methyl-4-(5-methyl-2-furanyl)- [ACD/Index Name]
5-Cyan-6-{[2-(3,4-dihydro-1(2H)-chinolinyl)-2-oxoethyl]sulfanyl}-N-(2-methoxyphenyl)-2-methyl-4-(5-methyl-2-furyl)-1,4-dihydro-3-pyridincarboxamid [German] [ACD/IUPAC Name]
5-Cyano-6-{[2-(3,4-dihydro-1(2H)-quinoléinyl)-2-oxoéthyl]sulfanyl}-N-(2-méthoxyphényl)-2-méthyl-4-(5-méthyl-2-furyl)-1,4-dihydro-3-pyridinecarboxamide [French] [ACD/IUPAC Name]
5-Cyano-6-{[2-(3,4-dihydro-1(2H)-quinolinyl)-2-oxoethyl]sulfanyl}-N-(2-methoxyphenyl)-2-methyl-4-(5-methyl-2-furyl)-1,4-dihydro-3-pyridinecarboxamide [ACD/IUPAC Name]
5-Cyano-6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethylsulfanyl]-2-methyl-4-(5-methyl-furan-2-yl)-1,4-dihydro-pyridine-3-carboxylic acid (2-methoxy-phenyl)-amide
5-cyano-6-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3-carboxamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 806.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.2±3.0 kJ/mol
Flash Point: 441.3±34.3 °C
Index of Refraction: 1.672
Molar Refractivity: 154.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.85
ACD/LogD (pH 5.5): 5.42
ACD/BCF (pH 5.5): 7786.72
ACD/KOC (pH 5.5): 21232.89
ACD/LogD (pH 7.4): 5.42
ACD/BCF (pH 7.4): 7787.52
ACD/KOC (pH 7.4): 21235.09
Polar Surface Area: 133 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 67.0±5.0 dyne/cm
Molar Volume: 411.3±5.0 cm3

Click to predict properties on the Chemicalize site


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