ChemSpider 2D Image | Methyl 2-[({[1,3-dimethyl-7-(4-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate | C23H24N6O5S2

Methyl 2-[({[1,3-dimethyl-7-(4-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate

  • Molecular FormulaC23H24N6O5S2
  • Average mass528.604 Da
  • Monoisotopic mass528.124939 Da
  • ChemSpider ID2439222

More details:

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

2-[(2-{[1,3-Diméthyl-7-(4-méthylbenzyl)-2,6-dioxo-2,3,6,7-tétrahydro-1H-purin-8-yl]sulfanyl}acétyl)amino]-4-méthyl-1,3-thiazole-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
5-Thiazolecarboxylic acid, 4-methyl-2-[[2-[[2,3,6,7-tetrahydro-1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxo-1H-purin-8-yl]thio]acetyl]amino]-, methyl ester [ACD/Index Name]
Methyl 2-[({[1,3-dimethyl-7-(4-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate [ACD/IUPAC Name]
Methyl-2-[({[1,3-dimethyl-7-(4-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetyl)amino]-4-methyl-1,3-thiazol-5-carboxylat [German] [ACD/IUPAC Name]

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

ASN 04427126 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.711
Molar Refractivity: 138.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.70
ACD/LogD (pH 5.5): 3.87
ACD/BCF (pH 5.5): 507.50
ACD/KOC (pH 5.5): 2989.54
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 197.21
ACD/KOC (pH 7.4): 1161.71
Polar Surface Area: 180 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 60.0±7.0 dyne/cm
Molar Volume: 355.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement