ChemSpider 2D Image | 2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-{5-[(3S)-1-(4-ethylphenyl)-5-oxo-3-pyrrolidinyl]-1,3,4-thiadiazol-2-yl}acetamide | C23H24N8O4S

2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-{5-[(3S)-1-(4-ethylphenyl)-5-oxo-3-pyrrolidinyl]-1,3,4-thiadiazol-2-yl}acetamide

  • Molecular FormulaC23H24N8O4S
  • Average mass508.553 Da
  • Monoisotopic mass508.164124 Da
  • ChemSpider ID62689642

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-{5-[(3S)-1-(4-ethylphenyl)-5-oxo-3-pyrrolidinyl]-1,3,4-thiadiazol-2-yl}acetamid [German] [ACD/IUPAC Name]
2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-{5-[(3S)-1-(4-ethylphenyl)-5-oxo-3-pyrrolidinyl]-1,3,4-thiadiazol-2-yl}acetamide [ACD/IUPAC Name]
2-(1,3-Diméthyl-2,6-dioxo-1,2,3,6-tétrahydro-7H-purin-7-yl)-N-{5-[(3S)-1-(4-éthylphényl)-5-oxo-3-pyrrolidinyl]-1,3,4-thiadiazol-2-yl}acétamide [French] [ACD/IUPAC Name]
7H-Purine-7-acetamide, N-[5-[(3S)-1-(4-ethylphenyl)-5-oxo-3-pyrrolidinyl]-1,3,4-thiadiazol-2-yl]-1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo- [ACD/Index Name]

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: 1.773
Molar Refractivity: 134.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.59
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 5.72
ACD/KOC (pH 5.5): 121.21
ACD/LogD (pH 7.4): 1.29
ACD/BCF (pH 7.4): 5.61
ACD/KOC (pH 7.4): 118.97
Polar Surface Area: 162 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 70.0±7.0 dyne/cm
Molar Volume: 322.8±7.0 cm3

Click to predict properties on the Chemicalize site


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