ChemSpider 2D Image | 4-{[3-(2-Chlorobenzyl)-2,4-dioxo-3,4-dihydropyrido[2,3-d]pyrimidin-1(2H)-yl]methyl}benzonitrile | C22H15ClN4O2

4-{[3-(2-Chlorobenzyl)-2,4-dioxo-3,4-dihydropyrido[2,3-d]pyrimidin-1(2H)-yl]methyl}benzonitrile

  • Molecular FormulaC22H15ClN4O2
  • Average mass402.833 Da
  • Monoisotopic mass402.088348 Da
  • ChemSpider ID22470711

More details:

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

4-{[3-(2-Chlorbenzyl)-2,4-dioxo-3,4-dihydropyrido[2,3-d]pyrimidin-1(2H)-yl]methyl}benzonitril [German] [ACD/IUPAC Name]
4-{[3-(2-Chlorobenzyl)-2,4-dioxo-3,4-dihydropyrido[2,3-d]pyrimidin-1(2H)-yl]methyl}benzonitrile [ACD/IUPAC Name]
4-{[3-(2-Chlorobenzyl)-2,4-dioxo-3,4-dihydropyrido[2,3-d]pyrimidin-1(2H)-yl]méthyl}benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[[3-[(2-chlorophenyl)methyl]-3,4-dihydro-2,4-dioxopyrido[2,3-d]pyrimidin-1(2H)-yl]methyl]- [ACD/Index Name]
4-({3-[(2-chlorophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-1-yl}methyl)benzonitrile
902965-32-6 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 637.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.2±3.0 kJ/mol
Flash Point: 339.4±34.3 °C
Index of Refraction: 1.711
Molar Refractivity: 107.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 3.87
ACD/BCF (pH 5.5): 515.39
ACD/KOC (pH 5.5): 3040.51
ACD/LogD (pH 7.4): 3.87
ACD/BCF (pH 7.4): 515.41
ACD/KOC (pH 7.4): 3040.60
Polar Surface Area: 77 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 79.5±5.0 dyne/cm
Molar Volume: 275.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement