ChemSpider 2D Image | 5-(Difluoromethyl)-7-(3,4-dimethylphenyl)-1-isopropyl-2-thioxo-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one | C19H19F2N3OS

5-(Difluoromethyl)-7-(3,4-dimethylphenyl)-1-isopropyl-2-thioxo-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one

  • Molecular FormulaC19H19F2N3OS
  • Average mass375.435 Da
  • Monoisotopic mass375.121704 Da
  • ChemSpider ID21761042

More details:

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

5-(Difluormethyl)-7-(3,4-dimethylphenyl)-1-isopropyl-2-thioxo-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-on [German] [ACD/IUPAC Name]
5-(Difluoromethyl)-7-(3,4-dimethylphenyl)-1-isopropyl-2-thioxo-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one [ACD/IUPAC Name]
5-(Difluorométhyl)-7-(3,4-diméthylphényl)-1-isopropyl-2-thioxo-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one [French] [ACD/IUPAC Name]
Pyrido[2,3-d]pyrimidin-4(1H)-one, 5-(difluoromethyl)-7-(3,4-dimethylphenyl)-2,3-dihydro-1-(1-methylethyl)-2-thioxo- [ACD/Index Name]
5-(difluoromethyl)-7-(3,4-dimethylphenyl)-1-(methylethyl)-2-sulfanylhydropyridino[2,3-d]pyrimidin-4-one
5-(difluoromethyl)-7-(3,4-dimethylphenyl)-1-(propan-2-yl)-2-sulfanylpyrido[2,3-d]pyrimidin-4(1H)-one
5-(difluoromethyl)-7-(3,4-dimethylphenyl)-1-isopropyl-2-mercaptopyrido[2,3-d]pyrimidin-4(1H)-one
5-Difluoromethyl-7-(3,4-dimethyl-phenyl)-1-isopropyl-2-mercapto-1H-pyrido[2,3-d]pyrimidin-4-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 544.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.3±3.0 kJ/mol
Flash Point: 283.2±32.9 °C
Index of Refraction: 1.627
Molar Refractivity: 99.7±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.97
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.00
ACD/LogD (pH 7.4): 0.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.62
Polar Surface Area: 84 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 38.8±7.0 dyne/cm
Molar Volume: 281.3±7.0 cm3

Click to predict properties on the Chemicalize site


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