ChemSpider 2D Image | 6-[(3-Chlorophenyl)sulfanyl]-1-(2,6-dichlorophenyl)-3,4-dihydropyrido[3,2-d]pyrimidin-2(1H)-one | C19H12Cl3N3OS

6-[(3-Chlorophenyl)sulfanyl]-1-(2,6-dichlorophenyl)-3,4-dihydropyrido[3,2-d]pyrimidin-2(1H)-one

  • Molecular FormulaC19H12Cl3N3OS
  • Average mass436.742 Da
  • Monoisotopic mass434.976654 Da
  • ChemSpider ID23208443

More details:

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

6-[(3-Chlorophenyl)sulfanyl]-1-(2,6-dichlorophenyl)-3,4-dihydropyrido[3,2-d]pyrimidin-2(1H)-one [ACD/IUPAC Name]
6-[(3-Chlorophényl)sulfanyl]-1-(2,6-dichlorophényl)-3,4-dihydropyrido[3,2-d]pyrimidin-2(1H)-one [French] [ACD/IUPAC Name]
6-[(3-Chlorphenyl)sulfanyl]-1-(2,6-dichlorphenyl)-3,4-dihydropyrido[3,2-d]pyrimidin-2(1H)-on [German] [ACD/IUPAC Name]
Pyrido[3,2-d]pyrimidin-2(1H)-one, 6-[(3-chlorophenyl)thio]-1-(2,6-dichlorophenyl)-3,4-dihydro- [ACD/Index Name]
6-(3-Chloro-phenylsulfanyl)-1-(2,6-dichloro-phenyl)-3,4-dihydro-1H-pyrido[3,2-d]pyrimidin-2-one
CHEMBL130076

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

Density: 1.6±0.1 g/cm3
Boiling Point: 679.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.8±3.0 kJ/mol
Flash Point: 365.0±31.5 °C
Index of Refraction: 1.749
Molar Refractivity: 111.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.97
ACD/LogD (pH 5.5): 5.83
ACD/BCF (pH 5.5): 15798.23
ACD/KOC (pH 5.5): 35232.52
ACD/LogD (pH 7.4): 5.83
ACD/BCF (pH 7.4): 15792.51
ACD/KOC (pH 7.4): 35219.75
Polar Surface Area: 71 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 79.8±5.0 dyne/cm
Molar Volume: 273.6±5.0 cm3

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