ChemSpider 2D Image | 5-Benzyl-8-[(2-{[2-(4-methoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-3-methyl-4-oxo-4,5-dihydrothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidine-2-carboxamide | C27H26N6O4S2

5-Benzyl-8-[(2-{[2-(4-methoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-3-methyl-4-oxo-4,5-dihydrothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidine-2-carboxamide

  • Molecular FormulaC27H26N6O4S2
  • Average mass562.663 Da
  • Monoisotopic mass562.145691 Da
  • ChemSpider ID32770747

More details:

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

5-Benzyl-8-[(2-{[2-(4-methoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-3-methyl-4-oxo-4,5-dihydrothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-2-carboxamid [German] [ACD/IUPAC Name]
5-Benzyl-8-[(2-{[2-(4-methoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-3-methyl-4-oxo-4,5-dihydrothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidine-2-carboxamide [ACD/IUPAC Name]
5-Benzyl-8-[(2-{[2-(4-méthoxyphényl)éthyl]amino}-2-oxoéthyl)sulfanyl]-3-méthyl-4-oxo-4,5-dihydrothiéno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidine-2-carboxamide [French] [ACD/IUPAC Name]
Thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidine-2-carboxamide, 4,5-dihydro-8-[[2-[[2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]thio]-3-methyl-4-oxo-5-(phenylmethyl)- [ACD/Index 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: 1.730
Molar Refractivity: 152.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.85
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 102.90
ACD/KOC (pH 5.5): 959.65
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 102.91
ACD/KOC (pH 7.4): 959.65
Polar Surface Area: 186 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 63.3±7.0 dyne/cm
Molar Volume: 382.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement