ChemSpider 2D Image | 1-[3,5-Bis(trifluoromethyl)phenyl]-3-[2-(1-pyrrolidinyl)-5-pyrimidinyl]urea | C17H15F6N5O

1-[3,5-Bis(trifluoromethyl)phenyl]-3-[2-(1-pyrrolidinyl)-5-pyrimidinyl]urea

  • Molecular FormulaC17H15F6N5O
  • Average mass419.324 Da
  • Monoisotopic mass419.118073 Da
  • ChemSpider ID58305713

More details:

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

1-[3,5-Bis(trifluormethyl)phenyl]-3-[2-(1-pyrrolidinyl)-5-pyrimidinyl]harnstoff [German] [ACD/IUPAC Name]
1-[3,5-Bis(trifluoromethyl)phenyl]-3-[2-(1-pyrrolidinyl)-5-pyrimidinyl]urea [ACD/IUPAC Name]
1-[3,5-Bis(trifluorométhyl)phényl]-3-[2-(1-pyrrolidinyl)-5-pyrimidinyl]urée [French] [ACD/IUPAC Name]
Urea, N-[3,5-bis(trifluoromethyl)phenyl]-N'-[2-(1-pyrrolidinyl)-5-pyrimidinyl]- [ACD/Index Name]
1-(3,5-bis(trifluoromethyl)phenyl)-3-(2-(pyrrolidin-1-yl)pyrimidin-5-yl)urea

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.572
Molar Refractivity: 91.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.18
ACD/LogD (pH 5.5): 5.14
ACD/BCF (pH 5.5): 4758.48
ACD/KOC (pH 5.5): 14826.73
ACD/LogD (pH 7.4): 5.15
ACD/BCF (pH 7.4): 4866.55
ACD/KOC (pH 7.4): 15163.47
Polar Surface Area: 70 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 277.9±3.0 cm3

Click to predict properties on the Chemicalize site


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