ChemSpider 2D Image | 4-(2-Methyl-2-propanyl)-N-{5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide | C21H23N7O3S2

4-(2-Methyl-2-propanyl)-N-{5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide

  • Molecular FormulaC21H23N7O3S2
  • Average mass485.582 Da
  • Monoisotopic mass485.130371 Da
  • ChemSpider ID29048187

More details:

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

4-(2-Methyl-2-propanyl)-N-{5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamid [German] [ACD/IUPAC Name]
4-(2-Methyl-2-propanyl)-N-{5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide [ACD/IUPAC Name]
4-(2-Méthyl-2-propanyl)-N-{5-[(1,3,7-triméthyl-2,6-dioxo-2,3,6,7-tétrahydro-1H-purin-8-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-(1,1-dimethylethyl)-N-[5-[(2,3,6,7-tetrahydro-1,3,7-trimethyl-2,6-dioxo-1H-purin-8-yl)thio]-1,3,4-thiadiazol-2-yl]- [ACD/Index Name]
4-tert-butyl-N-{5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)thio]-1,3,4-thiadiazol-2-yl}benzamide

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: 1.728
Molar Refractivity: 130.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 261.86
ACD/KOC (pH 5.5): 1872.45
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 254.03
ACD/KOC (pH 7.4): 1816.46
Polar Surface Area: 167 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 59.7±7.0 dyne/cm
Molar Volume: 328.5±7.0 cm3

Click to predict properties on the Chemicalize site


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