ChemSpider 2D Image | (2Z)-N-{4-[(3-Chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxy-6-quinolinyl}-4-(dimethylamino)-2-butenamide | C24H23ClFN5O2

(2Z)-N-{4-[(3-Chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxy-6-quinolinyl}-4-(dimethylamino)-2-butenamide

  • Molecular FormulaC24H23ClFN5O2
  • Average mass467.923 Da
  • Monoisotopic mass467.152435 Da
  • ChemSpider ID95567059

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-N-{4-[(3-Chlor-4-fluorphenyl)amino]-3-cyan-7-ethoxy-6-chinolinyl}-4-(dimethylamino)-2-butenamid [German] [ACD/IUPAC Name]
(2Z)-N-{4-[(3-Chloro-4-fluorophényl)amino]-3-cyano-7-éthoxy-6-quinoléinyl}-4-(diméthylamino)-2-buténamide [French] [ACD/IUPAC Name]
(2Z)-N-{4-[(3-Chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxy-6-quinolinyl}-4-(dimethylamino)-2-butenamide [ACD/IUPAC Name]
2-Butenamide, N-[4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-, (2Z)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 655.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.5±3.0 kJ/mol
Flash Point: 350.2±31.5 °C
Index of Refraction: 1.645
Molar Refractivity: 126.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.95
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 7.13
ACD/KOC (pH 5.5): 32.03
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 360.18
ACD/KOC (pH 7.4): 1618.89
Polar Surface Area: 90 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 63.3±5.0 dyne/cm
Molar Volume: 348.4±5.0 cm3

Click to predict properties on the Chemicalize site


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