ChemSpider 2D Image | N-[2-Chloro-5-(trifluoromethyl)phenyl]-5-cyano-6-({2-[(3-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-4-(tetrahydro-2-furanyl)-1,4-dihydro-3-pyridinecarboxamide | C28H26ClF3N4O4S

N-[2-Chloro-5-(trifluoromethyl)phenyl]-5-cyano-6-({2-[(3-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-4-(tetrahydro-2-furanyl)-1,4-dihydro-3-pyridinecarboxamide

  • Molecular FormulaC28H26ClF3N4O4S
  • Average mass607.044 Da
  • Monoisotopic mass606.131531 Da
  • ChemSpider ID110252454

More details:

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

3-Pyridinecarboxamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-5-cyano-1,4-dihydro-6-[[2-[(3-methoxyphenyl)amino]-2-oxoethyl]thio]-2-methyl-4-(tetrahydro-2-furanyl)- [ACD/Index Name]
N-[2-Chlor-5-(trifluormethyl)phenyl]-5-cyan-6-({2-[(3-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-4-(tetrahydro-2-furanyl)-1,4-dihydro-3-pyridincarboxamid [German] [ACD/IUPAC Name]
N-[2-Chloro-5-(trifluoromethyl)phenyl]-5-cyano-6-({2-[(3-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-4-(tetrahydro-2-furanyl)-1,4-dihydro-3-pyridinecarboxamide [ACD/IUPAC Name]
N-[2-Chloro-5-(trifluorométhyl)phényl]-5-cyano-6-({2-[(3-méthoxyphényl)amino]-2-oxoéthyl}sulfanyl)-2-méthyl-4-(tétrahydro-2-furanyl)-1,4-dihydro-3-pyridinecarboxamide [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: 770.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.1±3.0 kJ/mol
Flash Point: 419.6±32.9 °C
Index of Refraction: 1.622
Molar Refractivity: 148.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.00
ACD/LogD (pH 5.5): 5.65
ACD/BCF (pH 5.5): 11524.29
ACD/KOC (pH 5.5): 28111.96
ACD/LogD (pH 7.4): 5.65
ACD/BCF (pH 7.4): 11524.31
ACD/KOC (pH 7.4): 28112.02
Polar Surface Area: 138 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 60.1±5.0 dyne/cm
Molar Volume: 420.5±5.0 cm3

Click to predict properties on the Chemicalize site


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