ChemSpider 2D Image | 8-Ethyl-5-oxo-2-(4-{[4-(trifluoromethyl)phenyl]carbamothioyl}-1-piperazinyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid | C22H21F3N6O3S

8-Ethyl-5-oxo-2-(4-{[4-(trifluoromethyl)phenyl]carbamothioyl}-1-piperazinyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid

  • Molecular FormulaC22H21F3N6O3S
  • Average mass506.501 Da
  • Monoisotopic mass506.134796 Da
  • ChemSpider ID24633279

More details:

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

8-Ethyl-5-oxo-2-(4-{[4-(trifluormethyl)phenyl]carbamothioyl}-1-piperazinyl)-5,8-dihydropyrido[2,3-d]pyrimidin-6-carbonsäure [German] [ACD/IUPAC Name]
8-Ethyl-5-oxo-2-(4-{[4-(trifluoromethyl)phenyl]carbamothioyl}-1-piperazinyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid [ACD/IUPAC Name]
Acide 8-éthyl-5-oxo-2-(4-{[4-(trifluorométhyl)phényl]carbamothioyl}-1-pipérazinyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylique [French] [ACD/IUPAC Name]
Pyrido[2,3-d]pyrimidine-6-carboxylic acid, 8-ethyl-5,8-dihydro-5-oxo-2-[4-[thioxo[[4-(trifluoromethyl)phenyl]amino]methyl]-1-piperazinyl]- [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: 646.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 344.9±34.3 °C
Index of Refraction: 1.657
Molar Refractivity: 123.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.04
ACD/LogD (pH 5.5): 0.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.93
ACD/LogD (pH 7.4): -0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 134 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 71.7±3.0 dyne/cm
Molar Volume: 334.7±3.0 cm3

Click to predict properties on the Chemicalize site


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