ChemSpider 2D Image | 1-Cyclopropyl-1-[3-(1,3-thiazol-2-yl)benzyl]-3-[4-(trifluoromethoxy)phenyl]urea | C21H18F3N3O2S

1-Cyclopropyl-1-[3-(1,3-thiazol-2-yl)benzyl]-3-[4-(trifluoromethoxy)phenyl]urea

  • Molecular FormulaC21H18F3N3O2S
  • Average mass433.447 Da
  • Monoisotopic mass433.107178 Da
  • ChemSpider ID34247354

More details:






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

1-Cyclopropyl-1-[3-(1,3-thiazol-2-yl)benzyl]-3-[4-(trifluormethoxy)phenyl]harnstoff [German] [ACD/IUPAC Name]
1-Cyclopropyl-1-[3-(1,3-thiazol-2-yl)benzyl]-3-[4-(trifluoromethoxy)phenyl]urea [ACD/IUPAC Name]
1-Cyclopropyl-1-[3-(1,3-thiazol-2-yl)benzyl]-3-[4-(trifluorométhoxy)phényl]urée [French] [ACD/IUPAC Name]
Urea, N-cyclopropyl-N-[[3-(2-thiazolyl)phenyl]methyl]-N'-[4-(trifluoromethoxy)phenyl]- [ACD/Index Name]
31W

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.626
Molar Refractivity: 107.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 5.00
ACD/LogD (pH 5.5): 4.41
ACD/BCF (pH 5.5): 1332.47
ACD/KOC (pH 5.5): 5999.68
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1333.53
ACD/KOC (pH 7.4): 6004.46
Polar Surface Area: 83 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 58.5±5.0 dyne/cm
Molar Volume: 304.0±5.0 cm3

Click to predict properties on the Chemicalize site






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