ChemSpider 2D Image | 2-[2-(4-Methoxyphenyl)-5-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-6(5H)-yl]-N-[4-(2-methyl-2-propanyl)phenyl]acetamide | C30H31N5O3S

2-[2-(4-Methoxyphenyl)-5-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-6(5H)-yl]-N-[4-(2-methyl-2-propanyl)phenyl]acetamide

  • Molecular FormulaC30H31N5O3S
  • Average mass541.664 Da
  • Monoisotopic mass541.214783 Da
  • ChemSpider ID1789717

More details:

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

[1]Benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-6(5H)-acetamide, N-[4-(1,1-dimethylethyl)phenyl]-8,9,10,11-tetrahydro-2-(4-methoxyphenyl)-5-oxo- [ACD/Index Name]
2-[2-(4-Methoxyphenyl)-5-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-6(5H)-yl]-N-[4-(2-methyl-2-propanyl)phenyl]acetamid [German] [ACD/IUPAC Name]
2-[2-(4-Methoxyphenyl)-5-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-6(5H)-yl]-N-[4-(2-methyl-2-propanyl)phenyl]acetamide [ACD/IUPAC Name]
2-[2-(4-Méthoxyphényl)-5-oxo-8,9,10,11-tétrahydro[1]benzothiéno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-6(5H)-yl]-N-[4-(2-méthyl-2-propanyl)phényl]acétamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.699
Molar Refractivity: 153.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.73
ACD/LogD (pH 5.5): 6.25
ACD/BCF (pH 5.5): 32916.03
ACD/KOC (pH 5.5): 59585.66
ACD/LogD (pH 7.4): 6.25
ACD/BCF (pH 7.4): 32916.54
ACD/KOC (pH 7.4): 59586.57
Polar Surface Area: 118 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 54.1±7.0 dyne/cm
Molar Volume: 396.8±7.0 cm3

Click to predict properties on the Chemicalize site


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