ChemSpider 2D Image | N-{4-[(2-Benzyl-7-hydroxy-6-methoxy-4-quinazolinyl)amino]phenyl}benzamide | C29H24N4O3

N-{4-[(2-Benzyl-7-hydroxy-6-methoxy-4-quinazolinyl)amino]phenyl}benzamide

  • Molecular FormulaC29H24N4O3
  • Average mass476.526 Da
  • Monoisotopic mass476.184845 Da
  • ChemSpider ID35033725

More details:

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

Benzamide, N-[4-[[7-hydroxy-6-methoxy-2-(phenylmethyl)-4-quinazolinyl]amino]phenyl]- [ACD/Index Name]
N-{4-[(2-Benzyl-7-hydroxy-6-methoxy-4-chinazolinyl)amino]phenyl}benzamid [German] [ACD/IUPAC Name]
N-{4-[(2-Benzyl-7-hydroxy-6-methoxy-4-quinazolinyl)amino]phenyl}benzamide [ACD/IUPAC Name]
N-{4-[(2-Benzyl-7-hydroxy-6-méthoxy-4-quinazolinyl)amino]phényl}benzamide [French] [ACD/IUPAC Name]
N-{4-[(2-Benzyl-7-Hydroxy-6-Methoxyquinazolin-4-Yl)amino]phenyl}benzamide
1S8
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3343036/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 527.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 273.0±30.1 °C
Index of Refraction: 1.728
Molar Refractivity: 142.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.75
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 461.22
ACD/KOC (pH 5.5): 1915.94
ACD/LogD (pH 7.4): 4.16
ACD/BCF (pH 7.4): 671.19
ACD/KOC (pH 7.4): 2788.16
Polar Surface Area: 96 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 65.6±3.0 dyne/cm
Molar Volume: 356.7±3.0 cm3

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