ChemSpider 2D Image | N-(3-Chlorophenyl)-2-[3-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-5-methyl-1H-pyrazol-1-yl]acetamide | C23H26ClN7O3

N-(3-Chlorophenyl)-2-[3-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-5-methyl-1H-pyrazol-1-yl]acetamide

  • Molecular FormulaC23H26ClN7O3
  • Average mass483.951 Da
  • Monoisotopic mass483.178558 Da
  • ChemSpider ID23318794

More details:

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

1H-Pyrazole-1-acetamide, N-(3-chlorophenyl)-5-methyl-3-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)- [ACD/Index Name]
N-(3-Chlorophenyl)-2-[3-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-5-methyl-1H-pyrazol-1-yl]acetamide [ACD/IUPAC Name]
N-(3-Chlorophényl)-2-[3-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tétrahydro-1H-purin-8-yl)-5-méthyl-1H-pyrazol-1-yl]acétamide [French] [ACD/IUPAC Name]
N-(3-Chlorphenyl)-2-[3-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-5-methyl-1H-pyrazol-1-yl]acetamid [German] [ACD/IUPAC Name]
2-[3-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-5-methyl-pyrazol-1-yl]-N-(3-chloro-phenyl)-acetamide

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.689
Molar Refractivity: 129.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 3.92
ACD/BCF (pH 5.5): 560.22
ACD/KOC (pH 5.5): 3192.60
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 146.90
ACD/KOC (pH 7.4): 837.16
Polar Surface Area: 116 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 56.7±7.0 dyne/cm
Molar Volume: 338.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement