ChemSpider 2D Image | 2-[(7-Benzyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide | C31H28N4O2S2

2-[(7-Benzyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide

  • Molecular FormulaC31H28N4O2S2
  • Average mass552.710 Da
  • Monoisotopic mass552.165344 Da
  • ChemSpider ID11942741

More details:

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

2-[(7-Benzyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamid [German] [ACD/IUPAC Name]
2-[(7-Benzyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide [ACD/IUPAC Name]
2-[(7-Benzyl-4-oxo-3-phényl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thiéno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-méthylphényl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[3,4,5,6,7,8-hexahydro-4-oxo-3-phenyl-7-(phenylmethyl)pyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]thio]-N-(3-methylphenyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.708
Molar Refractivity: 161.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.68
ACD/LogD (pH 5.5): 4.37
ACD/BCF (pH 5.5): 819.47
ACD/KOC (pH 5.5): 2623.25
ACD/LogD (pH 7.4): 5.08
ACD/BCF (pH 7.4): 4195.69
ACD/KOC (pH 7.4): 13431.09
Polar Surface Area: 119 Å2
Polarizability: 63.9±0.5 10-24cm3
Surface Tension: 56.4±7.0 dyne/cm
Molar Volume: 413.5±7.0 cm3

Click to predict properties on the Chemicalize site


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