ChemSpider 2D Image | 1-[4-(Cyclopentylamino)-2-oxo-2H-chromen-3-yl]-3-(2,4-difluorophenyl)urea | C21H19F2N3O3

1-[4-(Cyclopentylamino)-2-oxo-2H-chromen-3-yl]-3-(2,4-difluorophenyl)urea

  • Molecular FormulaC21H19F2N3O3
  • Average mass399.391 Da
  • Monoisotopic mass399.139435 Da
  • ChemSpider ID21625766

More details:

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

1-[4-(Cyclopentylamino)-2-oxo-2H-chromen-3-yl]-3-(2,4-difluorophenyl)urea [ACD/IUPAC Name]
1-[4-(Cyclopentylamino)-2-oxo-2H-chromén-3-yl]-3-(2,4-difluorophényl)urée [French] [ACD/IUPAC Name]
1-[4-(Cyclopentylamino)-2-oxo-2H-chromen-3-yl]-3-(2,4-difluorphenyl)harnstoff [German] [ACD/IUPAC Name]
Urea, N-[4-(cyclopentylamino)-2-oxo-2H-1-benzopyran-3-yl]-N'-(2,4-difluorophenyl)- [ACD/Index Name]
3-[4-(cyclopentylamino)-2-oxo-2H-chromen-3-yl]-1-(2,4-difluorophenyl)urea

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

Density: 1.4±0.1 g/cm3
Boiling Point: 533.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.9±3.0 kJ/mol
Flash Point: 276.3±30.1 °C
Index of Refraction: 1.633
Molar Refractivity: 101.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 157.82
ACD/KOC (pH 5.5): 1302.16
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 156.52
ACD/KOC (pH 7.4): 1291.43
Polar Surface Area: 79 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 58.1±5.0 dyne/cm
Molar Volume: 284.5±5.0 cm3

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