ChemSpider 2D Image | N-(5,6-Dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)-2-{[4-phenyl-5-(1-pyrrolidinylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide | C23H25N7O2S2

N-(5,6-Dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)-2-{[4-phenyl-5-(1-pyrrolidinylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

  • Molecular FormulaC23H25N7O2S2
  • Average mass495.620 Da
  • Monoisotopic mass495.151123 Da
  • ChemSpider ID30593263

More details:

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

Acetamide, N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)-2-[[4-phenyl-5-(1-pyrrolidinylmethyl)-4H-1,2,4-triazol-3-yl]thio]- [ACD/Index Name]
N-(5,6-Dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)-2-{[4-phenyl-5-(1-pyrrolidinylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamid [German] [ACD/IUPAC Name]
N-(5,6-Dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)-2-{[4-phenyl-5-(1-pyrrolidinylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide [ACD/IUPAC Name]
N-(5,6-Diméthyl-4-oxothiéno[2,3-d]pyrimidin-3(4H)-yl)-2-{[4-phényl-5-(1-pyrrolidinylméthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acétamide [French] [ACD/IUPAC Name]

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: 1.759
Molar Refractivity: 136.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.12
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 7.28
ACD/KOC (pH 7.4): 91.77
Polar Surface Area: 149 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 65.0±7.0 dyne/cm
Molar Volume: 332.9±7.0 cm3

Click to predict properties on the Chemicalize site


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