Found 209 results

Search term: MF = 'C_{21}H_{21}F_{2}N_{3}OS'
ChemSpider 2D Image | 1-Cyclopentyl-5-(difluoromethyl)-7-(4-ethylphenyl)-2-thioxo-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one | C21H21F2N3OS

1-Cyclopentyl-5-(difluoromethyl)-7-(4-ethylphenyl)-2-thioxo-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one

  • Molecular FormulaC21H21F2N3OS
  • Average mass401.473 Da
  • Monoisotopic mass401.137329 Da
  • ChemSpider ID21760981

More details:

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

1-Cyclopentyl-5-(difluormethyl)-7-(4-ethylphenyl)-2-thioxo-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-on [German] [ACD/IUPAC Name]
1-Cyclopentyl-5-(difluoromethyl)-7-(4-ethylphenyl)-2-thioxo-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one [ACD/IUPAC Name]
1-Cyclopentyl-5-(difluorométhyl)-7-(4-éthylphényl)-2-thioxo-2,3-dihydropyrido[2,3-d]pyrimidin-4(1H)-one [French] [ACD/IUPAC Name]
Pyrido[2,3-d]pyrimidin-4(1H)-one, 1-cyclopentyl-5-(difluoromethyl)-7-(4-ethylphenyl)-2,3-dihydro-2-thioxo- [ACD/Index Name]
1-cyclopentyl-5-(difluoromethyl)-7-(4-ethylphenyl)-2-mercaptopyrido[2,3-d]pyrimidin-4(1H)-one
1-cyclopentyl-5-(difluoromethyl)-7-(4-ethylphenyl)-2-sulfanylpyrido[2,3-d]pyrimidin-4(1H)-one
1-Cyclopentyl-5-difluoromethyl-7-(4-ethyl-phenyl)-2-mercapto-1H-pyrido[2,3-d]pyrimidin-4-one
5-(difluoromethyl)-1-cyclopentyl-7-(4-ethylphenyl)-2-sulfanylhydropyridino[2,3-d]pyrimidin-4-one

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

Density: 1.4±0.1 g/cm3
Boiling Point: 584.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.3±3.0 kJ/mol
Flash Point: 307.2±32.9 °C
Index of Refraction: 1.666
Molar Refractivity: 106.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 1.35
ACD/BCF (pH 5.5): 1.05
ACD/KOC (pH 5.5): 4.34
ACD/LogD (pH 7.4): 1.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.39
Polar Surface Area: 84 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 45.5±7.0 dyne/cm
Molar Volume: 287.6±7.0 cm3

Click to predict properties on the Chemicalize site


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