ChemSpider 2D Image | Apatinib | C24H23N5O

Apatinib

  • Molecular FormulaC24H23N5O
  • Average mass397.472 Da
  • Monoisotopic mass397.190247 Da
  • ChemSpider ID34980756

More details:






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

3-Pyridinecarboxamide, N-[4-(1-cyanocyclopentyl)phenyl]-2-[(4-methyl-3-pyridinyl)amino]- [ACD/Index Name]
Apatinib [Wiki]
N-[4-(1-Cyancyclopentyl)phenyl]-2-[(4-methyl-3-pyridinyl)amino]nicotinamid [German] [ACD/IUPAC Name]
N-[4-(1-Cyanocyclopentyl)phenyl]-2-[(4-methyl-3-pyridinyl)amino]nicotinamide [ACD/IUPAC Name]
N-[4-(1-Cyanocyclopentyl)phényl]-2-[(4-méthyl-3-pyridinyl)amino]nicotinamide [French] [ACD/IUPAC Name]
N-[4-(1-cyanocyclopentyl)phenyl]-2-[(4-methylpyridin-3-yl)amino]pyridine-3-carboxamide
YN968D1

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 552.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 287.9±30.1 °C
Index of Refraction: 1.653
Molar Refractivity: 114.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 302.05
ACD/KOC (pH 5.5): 1700.59
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 599.82
ACD/KOC (pH 7.4): 3377.05
Polar Surface Area: 91 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 68.1±5.0 dyne/cm
Molar Volume: 311.7±5.0 cm3

Click to predict properties on the Chemicalize site






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