ChemSpider 2D Image | 1-(2,6-Dichlorophenyl)-6-[(2,4-difluorophenyl)sulfanyl]pyrido[3,2-d]pyrimidin-2(1H)-one | C19H9Cl2F2N3OS

1-(2,6-Dichlorophenyl)-6-[(2,4-difluorophenyl)sulfanyl]pyrido[3,2-d]pyrimidin-2(1H)-one

  • Molecular FormulaC19H9Cl2F2N3OS
  • Average mass436.262 Da
  • Monoisotopic mass434.981140 Da
  • ChemSpider ID23181697

More details:

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

1-(2,6-Dichlorophenyl)-6-[(2,4-difluorophenyl)sulfanyl]pyrido[3,2-d]pyrimidin-2(1H)-one [ACD/IUPAC Name]
1-(2,6-Dichlorophényl)-6-[(2,4-difluorophényl)sulfanyl]pyrido[3,2-d]pyrimidin-2(1H)-one [French] [ACD/IUPAC Name]
1-(2,6-Dichlorphenyl)-6-[(2,4-difluorphenyl)sulfanyl]pyrido[3,2-d]pyrimidin-2(1H)-on [German] [ACD/IUPAC Name]
Pyrido[3,2-d]pyrimidin-2(1H)-one, 1-(2,6-dichlorophenyl)-6-[(2,4-difluorophenyl)thio]- [ACD/Index Name]
1-(2,6-Dichloro-phenyl)-6-(2,4-difluoro-phenylsulfanyl)-1H-pyrido[3,2-d]pyrimidin-2-one

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

Density: 1.6±0.1 g/cm3
Boiling Point: 574.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.0±3.0 kJ/mol
Flash Point: 301.0±32.9 °C
Index of Refraction: 1.692
Molar Refractivity: 107.6±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.37
ACD/LogD (pH 5.5): 5.12
ACD/BCF (pH 5.5): 4619.10
ACD/KOC (pH 5.5): 14611.11
ACD/LogD (pH 7.4): 5.12
ACD/BCF (pH 7.4): 4619.10
ACD/KOC (pH 7.4): 14611.11
Polar Surface Area: 71 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 52.5±7.0 dyne/cm
Molar Volume: 280.7±7.0 cm3

Click to predict properties on the Chemicalize site


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