ChemSpider 2D Image | 6-{2-[({4-[(3,4-Dichlorophenyl)amino]-6-methoxy-7-quinazolinyl}oxy)methyl]-4-morpholinyl}hexanenitrile | C26H29Cl2N5O3

6-{2-[({4-[(3,4-Dichlorophenyl)amino]-6-methoxy-7-quinazolinyl}oxy)methyl]-4-morpholinyl}hexanenitrile

  • Molecular FormulaC26H29Cl2N5O3
  • Average mass530.446 Da
  • Monoisotopic mass529.164734 Da
  • ChemSpider ID76718078

More details:






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

4-Morpholinehexanenitrile, 2-[[[4-[(3,4-dichlorophenyl)amino]-6-methoxy-7-quinazolinyl]oxy]methyl]- [ACD/Index Name]
6-{2-[({4-[(3,4-Dichlorophenyl)amino]-6-methoxy-7-quinazolinyl}oxy)methyl]-4-morpholinyl}hexanenitrile [ACD/IUPAC Name]
6-{2-[({4-[(3,4-Dichlorophényl)amino]-6-méthoxy-7-quinazolinyl}oxy)méthyl]-4-morpholinyl}hexanenitrile [French] [ACD/IUPAC Name]
6-{2-[({4-[(3,4-Dichlorphenyl)amino]-6-methoxy-7-chinazolinyl}oxy)methyl]-4-morpholinyl}hexannitril [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 683.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 367.0±31.5 °C
Index of Refraction: 1.611
Molar Refractivity: 142.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.39
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 42.41
ACD/KOC (pH 5.5): 136.96
ACD/LogD (pH 7.4): 4.83
ACD/BCF (pH 7.4): 2418.33
ACD/KOC (pH 7.4): 7809.97
Polar Surface Area: 93 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 55.6±3.0 dyne/cm
Molar Volume: 409.5±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement