ChemSpider 2D Image | 1-sec-Butyl-5-(difluoromethyl)-7-(4-methylphenyl)-2-thioxo-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one | C19H19F2N3OS

1-sec-Butyl-5-(difluoromethyl)-7-(4-methylphenyl)-2-thioxo-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one

  • Molecular FormulaC19H19F2N3OS
  • Average mass375.435 Da
  • Monoisotopic mass375.121704 Da
  • ChemSpider ID21761007

More details:

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

1-sec-Butyl-5-(difluormethyl)-7-(4-methylphenyl)-2-thioxo-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-on [German] [ACD/IUPAC Name]
1-sec-Butyl-5-(difluoromethyl)-7-(4-methylphenyl)-2-thioxo-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one [ACD/IUPAC Name]
1-sec-Butyl-5-(difluorométhyl)-7-(4-méthylphényl)-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)-2,3-dihydro-7-(4-methylphenyl)-1-(1-methylpropyl)-2-thioxo- [ACD/Index Name]
1-(butan-2-yl)-5-(difluoromethyl)-7-(4-methylphenyl)-2-sulfanylpyrido[2,3-d]pyrimidin-4(1H)-one
1-sec-butyl-5-(difluoromethyl)-2-mercapto-7-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4(1H)-one
1-sec-Butyl-5-difluoromethyl-2-mercapto-7-p-tolyl-1H-pyrido[2,3-d]pyrimidin-4-one
5-(difluoromethyl)-7-(4-methylphenyl)-1-(methylpropyl)-2-sulfanylhydropyridino[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: 546.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.6±3.0 kJ/mol
Flash Point: 284.5±32.9 °C
Index of Refraction: 1.626
Molar Refractivity: 99.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 0.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.82
ACD/LogD (pH 7.4): 0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.17
Polar Surface Area: 84 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 39.9±7.0 dyne/cm
Molar Volume: 282.2±7.0 cm3

Click to predict properties on the Chemicalize site


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