ChemSpider 2D Image | 4-{[(3S)-2-Oxo-3-pyrrolidinyl]amino}-6-{4-[4-(trifluoromethoxy)phenoxy]phenyl}-1,3,5-triazine-2-carboxamide | C21H17F3N6O4

4-{[(3S)-2-Oxo-3-pyrrolidinyl]amino}-6-{4-[4-(trifluoromethoxy)phenoxy]phenyl}-1,3,5-triazine-2-carboxamide

  • Molecular FormulaC21H17F3N6O4
  • Average mass474.393 Da
  • Monoisotopic mass474.126343 Da
  • ChemSpider ID76820247

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,3,5-Triazine-2-carboxamide, 4-[[(3S)-2-oxo-3-pyrrolidinyl]amino]-6-[4-[4-(trifluoromethoxy)phenoxy]phenyl]- [ACD/Index Name]
4-{[(3S)-2-Oxo-3-pyrrolidinyl]amino}-6-{4-[4-(trifluormethoxy)phenoxy]phenyl}-1,3,5-triazin-2-carboxamid [German] [ACD/IUPAC Name]
4-{[(3S)-2-Oxo-3-pyrrolidinyl]amino}-6-{4-[4-(trifluoromethoxy)phenoxy]phenyl}-1,3,5-triazine-2-carboxamide [ACD/IUPAC Name]
4-{[(3S)-2-Oxo-3-pyrrolidinyl]amino}-6-{4-[4-(trifluorométhoxy)phénoxy]phényl}-1,3,5-triazine-2-carboxamide [French] [ACD/IUPAC Name]

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: 1.619
Molar Refractivity: 112.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 0.68
ACD/LogD (pH 5.5): 1.16
ACD/BCF (pH 5.5): 4.47
ACD/KOC (pH 5.5): 101.61
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 4.47
ACD/KOC (pH 7.4): 101.62
Polar Surface Area: 141 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 62.1±3.0 dyne/cm
Molar Volume: 320.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement