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

Ethyl 2-({[(7-benzyl-1,3-dimethyl-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 ID2439213

More details:

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

2-({2-[(7-Benzyl-1,3-diméthyl-2,6-dioxo-2,3,6,7-tétrahydro-1H-purin-8-yl)sulfanyl]acétyl}amino)-4-méthyl-1,3-thiazole-5-carboxylate d'éthyle [French] [ACD/IUPAC Name]
5-Thiazolecarboxylic acid, 4-methyl-2-[[2-[[2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-7-(phenylmethyl)-1H-purin-8-yl]thio]acetyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 2-({[(7-benzyl-1,3-dimethyl-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]
Ethyl-2-({[(7-benzyl-1,3-dimethyl-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 04426973 [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: 1.710
Molar Refractivity: 139.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.77
ACD/LogD (pH 5.5): 3.87
ACD/BCF (pH 5.5): 508.39
ACD/KOC (pH 5.5): 2996.21
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 219.46
ACD/KOC (pH 7.4): 1293.39
Polar Surface Area: 180 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 61.2±7.0 dyne/cm
Molar Volume: 355.9±7.0 cm3

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