ChemSpider 2D Image | 1-(2,6-Dichlorophenyl)-6-[(2,4-difluorophenyl)sulfanyl]-7-(1,2,3,6-tetrahydro-4-pyridinyl)-3,4-dihydropyrido[3,2-d]pyrimidin-2(1H)-one | C24H18Cl2F2N4OS

1-(2,6-Dichlorophenyl)-6-[(2,4-difluorophenyl)sulfanyl]-7-(1,2,3,6-tetrahydro-4-pyridinyl)-3,4-dihydropyrido[3,2-d]pyrimidin-2(1H)-one

  • Molecular FormulaC24H18Cl2F2N4OS
  • Average mass519.394 Da
  • Monoisotopic mass518.054626 Da
  • ChemSpider ID4449799

More details:

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

1-(2,6-Dichlorophenyl)-6-[(2,4-difluorophenyl)sulfanyl]-7-(1,2,3,6-tetrahydro-4-pyridinyl)-3,4-dihydropyrido[3,2-d]pyrimidin-2(1H)-one [ACD/IUPAC Name]
1-(2,6-Dichlorophényl)-6-[(2,4-difluorophényl)sulfanyl]-7-(1,2,3,6-tétrahydro-4-pyridinyl)-3,4-dihydropyrido[3,2-d]pyrimidin-2(1H)-one [French] [ACD/IUPAC Name]
1-(2,6-Dichlorphenyl)-6-[(2,4-difluorphenyl)sulfanyl]-7-(1,2,3,6-tetrahydro-4-pyridinyl)-3,4-dihydropyrido[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]-3,4-dihydro-7-(1,2,3,6-tetrahydro-4-pyridinyl)- [ACD/Index Name]
pyridol-pyrimidine compound 4

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

Density: 1.6±0.1 g/cm3
Boiling Point: 686.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.7±3.0 kJ/mol
Flash Point: 369.1±31.5 °C
Index of Refraction: 1.716
Molar Refractivity: 131.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 6.81
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 32.21
ACD/KOC (pH 5.5): 86.60
ACD/LogD (pH 7.4): 4.75
ACD/BCF (pH 7.4): 1643.94
ACD/KOC (pH 7.4): 4419.88
Polar Surface Area: 83 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 73.3±5.0 dyne/cm
Molar Volume: 333.7±5.0 cm3

Click to predict properties on the Chemicalize site


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