ChemSpider 2D Image | (2E)-3-[1-(3-Chloro-4-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N-cycloheptylacrylamide | C24H28ClN3O

(2E)-3-[1-(3-Chloro-4-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N-cycloheptylacrylamide

  • Molecular FormulaC24H28ClN3O
  • Average mass409.952 Da
  • Monoisotopic mass409.192078 Da
  • ChemSpider ID21836334

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-[1-(3-Chlor-4-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyan-N-cycloheptylacrylamid [German] [ACD/IUPAC Name]
(2E)-3-[1-(3-Chloro-4-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N-cycloheptylacrylamide [ACD/IUPAC Name]
(2E)-3-[1-(3-Chloro-4-méthylphényl)-2,5-diméthyl-1H-pyrrol-3-yl]-2-cyano-N-cycloheptylacrylamide [French] [ACD/IUPAC Name]
2-Propenamide, 3-[1-(3-chloro-4-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N-cycloheptyl-, (2E)- [ACD/Index Name]
(2E)-3-[1-(3-chloro-4-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N-cycloheptylprop-2-enamide
3-[1-(3-Chloro-4-methyl-phenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N-cycloheptyl-acrylamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 622.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 330.0±31.5 °C
Index of Refraction: 1.599
Molar Refractivity: 119.3±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.56
ACD/LogD (pH 5.5): 5.96
ACD/BCF (pH 5.5): 19883.46
ACD/KOC (pH 5.5): 41538.12
ACD/LogD (pH 7.4): 5.96
ACD/BCF (pH 7.4): 19883.26
ACD/KOC (pH 7.4): 41537.71
Polar Surface Area: 58 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 42.0±7.0 dyne/cm
Molar Volume: 349.5±7.0 cm3

Click to predict properties on the Chemicalize site


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