ChemSpider 2D Image | pelitinib | C24H23ClFN5O2

pelitinib

  • Molecular FormulaC24H23ClFN5O2
  • Average mass467.923 Da
  • Monoisotopic mass467.152435 Da
  • ChemSpider ID24813482

More details:

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

257933-82-7 [RN]
2-Butenamide, N-[4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)- [ACD/Index Name]
N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide
N-{4-[(3-Chlor-4-fluorphenyl)amino]-3-cyan-7-ethoxy-6-chinolinyl}-4-(dimethylamino)-2-butenamid [German] [ACD/IUPAC Name]
N-{4-[(3-Chloro-4-fluorophényl)amino]-3-cyano-7-éthoxy-6-quinoléinyl}-4-(diméthylamino)-2-buténamide [French] [ACD/IUPAC Name]
N-{4-[(3-Chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxy-6-quinolinyl}-4-(dimethylamino)-2-butenamide [ACD/IUPAC Name]
pelitinib [INN] [USAN]
(E)-N-(4-((3-chloro-4-fluorophenyl)amino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide
326894-84-2 [RN]
MFCD09837868 [MDL number]
More...

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): 2.20
ACD/BCF (pH 5.5): 8.13
ACD/KOC (pH 5.5): 36.55
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 402.30
ACD/KOC (pH 7.4): 1808.16
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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