ChemSpider 2D Image | N-(1,3-Benzodioxol-5-yl)-2-{[7-(3-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamide | C23H20ClN5O5S

N-(1,3-Benzodioxol-5-yl)-2-{[7-(3-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamide

  • Molecular FormulaC23H20ClN5O5S
  • Average mass513.953 Da
  • Monoisotopic mass513.087341 Da
  • ChemSpider ID877112

More details:

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

Acetamide, N-1,3-benzodioxol-5-yl-2-[[7-[(3-chlorophenyl)methyl]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl]thio]- [ACD/Index Name]
N-(1,3-Benzodioxol-5-yl)-2-{[7-(3-chlorbenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamid [German] [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-yl)-2-{[7-(3-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamide [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-yl)-2-{[7-(3-chlorobenzyl)-1,3-diméthyl-2,6-dioxo-2,3,6,7-tétrahydro-1H-purin-8-yl]sulfanyl}acétamide [French] [ACD/IUPAC Name]
N-(2H-benzo[d]1,3-dioxolen-5-yl)-2-{7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo(1,3,7-trihydropurin-8-ylthio)}acetamide
N-1,3-benzodioxol-5-yl-2-{[7-(3-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]thio}acetamide
N-Benzo[1,3]dioxol-5-yl-2-[7-(3-chloro-benzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylsulfanyl]-acetamide

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

A2517/0106962 [DBID]
AN-465/14962051 [DBID]
EU-0086038 [DBID]
ZINC00677971 [DBID]

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: 1.730
Molar Refractivity: 131.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 4.16
ACD/BCF (pH 5.5): 851.13
ACD/KOC (pH 5.5): 4354.00
ACD/LogD (pH 7.4): 4.16
ACD/BCF (pH 7.4): 851.13
ACD/KOC (pH 7.4): 4354.00
Polar Surface Area: 131 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 63.9±7.0 dyne/cm
Molar Volume: 328.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement