ChemSpider 2D Image | (2R)-N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-{[4-(2-thienyl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}propanamide | C23H20F3N5O2S2

(2R)-N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-{[4-(2-thienyl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}propanamide

  • Molecular FormulaC23H20F3N5O2S2
  • Average mass519.562 Da
  • Monoisotopic mass519.101074 Da
  • ChemSpider ID62477579

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-{[4-(2-thienyl)-6-(trifluormethyl)-2-pyrimidinyl]sulfanyl}propanamid [German] [ACD/IUPAC Name]
(2R)-N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-{[4-(2-thienyl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}propanamide [ACD/IUPAC Name]
(2R)-N-(1,5-Diméthyl-3-oxo-2-phényl-2,3-dihydro-1H-pyrazol-4-yl)-2-{[4-(2-thiényl)-6-(trifluorométhyl)-2-pyrimidinyl]sulfanyl}propanamide [French] [ACD/IUPAC Name]
Propanamide, N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-2-[[4-(2-thienyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-, (2R)- [ACD/Index 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: 1.661
Molar Refractivity: 129.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 201.94
ACD/KOC (pH 5.5): 1554.82
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 201.90
ACD/KOC (pH 7.4): 1554.54
Polar Surface Area: 132 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 67.4±5.0 dyne/cm
Molar Volume: 349.1±5.0 cm3

Click to predict properties on the Chemicalize site


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