ChemSpider 2D Image | {8-[4-(3-Chlorophenyl)-1-piperazinyl]-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetic acid | C18H19ClN6O4

{8-[4-(3-Chlorophenyl)-1-piperazinyl]-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetic acid

  • Molecular FormulaC18H19ClN6O4
  • Average mass418.834 Da
  • Monoisotopic mass418.115631 Da
  • ChemSpider ID29372559

More details:

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

{8-[4-(3-Chlorophenyl)-1-piperazinyl]-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetic acid [ACD/IUPAC Name]
{8-[4-(3-Chlorphenyl)-1-piperazinyl]-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}essigsäure [German] [ACD/IUPAC Name]
7H-Purine-7-acetic acid, 8-[4-(3-chlorophenyl)-1-piperazinyl]-1,2,3,6-tetrahydro-3-methyl-2,6-dioxo- [ACD/Index Name]
Acide {8-[4-(3-chlorophényl)-1-pipérazinyl]-3-méthyl-2,6-dioxo-1,2,3,6-tétrahydro-7H-purin-7-yl}acétique [French] [ACD/IUPAC Name]
2-{8-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl}acetic acid

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.748
Molar Refractivity: 105.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 0.94
ACD/LogD (pH 5.5): -0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.19
ACD/LogD (pH 7.4): -1.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 111 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 71.1±7.0 dyne/cm
Molar Volume: 258.3±7.0 cm3

Click to predict properties on the Chemicalize site


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