ChemSpider 2D Image | 1-{4-[3-Amino-7-(4-morpholinylmethyl)-1,2-benzoxazol-4-yl]phenyl}-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea | C26H23F4N5O3

1-{4-[3-Amino-7-(4-morpholinylmethyl)-1,2-benzoxazol-4-yl]phenyl}-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea

  • Molecular FormulaC26H23F4N5O3
  • Average mass529.486 Da
  • Monoisotopic mass529.173706 Da
  • ChemSpider ID9960540

More details:

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

1-{4-[3-Amino-7-(4-morpholinylmethyl)-1,2-benzoxazol-4-yl]phenyl}-3-[2-fluor-5-(trifluormethyl)phenyl]harnstoff [German] [ACD/IUPAC Name]
1-{4-[3-Amino-7-(4-morpholinylmethyl)-1,2-benzoxazol-4-yl]phenyl}-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea [ACD/IUPAC Name]
1-{4-[3-Amino-7-(4-morpholinylméthyl)-1,2-benzoxazol-4-yl]phényl}-3-[2-fluoro-5-(trifluorométhyl)phényl]urée [French] [ACD/IUPAC Name]
Urea, N-[4-[3-amino-7-(4-morpholinylmethyl)-1,2-benzisoxazol-4-yl]phenyl]-N'-[2-fluoro-5-(trifluoromethyl)phenyl]- [ACD/Index Name]
Kinome_3301

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

Density: 1.5±0.1 g/cm3
Boiling Point: 581.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 305.7±30.1 °C
Index of Refraction: 1.658
Molar Refractivity: 133.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 109.14
ACD/KOC (pH 5.5): 683.54
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 403.22
ACD/KOC (pH 7.4): 2525.22
Polar Surface Area: 106 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 62.5±3.0 dyne/cm
Molar Volume: 362.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement