ChemSpider 2D Image | 1-{4-[Bis(2-chloroethyl)amino]phenyl}-3-{4-[(4-fluorophenyl)amino]-6-quinazolinyl}urea | C25H23Cl2FN6O

1-{4-[Bis(2-chloroethyl)amino]phenyl}-3-{4-[(4-fluorophenyl)amino]-6-quinazolinyl}urea

  • Molecular FormulaC25H23Cl2FN6O
  • Average mass513.394 Da
  • Monoisotopic mass512.129456 Da
  • ChemSpider ID26607801

More details:

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

1-{4-[Bis(2-chlorethyl)amino]phenyl}-3-{4-[(4-fluorphenyl)amino]-6-chinazolinyl}harnstoff [German] [ACD/IUPAC Name]
1-{4-[Bis(2-chloroethyl)amino]phenyl}-3-{4-[(4-fluorophenyl)amino]-6-quinazolinyl}urea [ACD/IUPAC Name]
1-{4-[Bis(2-chloroéthyl)amino]phényl}-3-{4-[(4-fluorophényl)amino]-6-quinazolinyl}urée [French] [ACD/IUPAC Name]
Urea, N-[4-[bis(2-chloroethyl)amino]phenyl]-N'-[4-[(4-fluorophenyl)amino]-6-quinazolinyl]- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL1795959/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 613.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.1±3.0 kJ/mol
Flash Point: 324.9±31.5 °C
Index of Refraction: 1.732
Molar Refractivity: 141.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.94
ACD/LogD (pH 5.5): 3.92
ACD/BCF (pH 5.5): 394.69
ACD/KOC (pH 5.5): 1643.17
ACD/LogD (pH 7.4): 4.56
ACD/BCF (pH 7.4): 1707.59
ACD/KOC (pH 7.4): 7109.03
Polar Surface Area: 82 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 67.7±3.0 dyne/cm
Molar Volume: 354.4±3.0 cm3

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