ChemSpider 2D Image | N-(1,3-Benzodioxol-5-yl)-2-[(3-benzyl-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide | C23H21N3O4S2

N-(1,3-Benzodioxol-5-yl)-2-[(3-benzyl-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide

  • Molecular FormulaC23H21N3O4S2
  • Average mass467.560 Da
  • Monoisotopic mass467.097351 Da
  • ChemSpider ID21215720

More details:

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

Acetamide, N-1,3-benzodioxol-5-yl-2-[[3,4,6,7-tetrahydro-6-methyl-4-oxo-3-(phenylmethyl)thieno[3,2-d]pyrimidin-2-yl]thio]- [ACD/Index Name]
N-(1,3-Benzodioxol-5-yl)-2-[(3-benzyl-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamid [German] [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-yl)-2-[(3-benzyl-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-yl)-2-[(3-benzyl-6-méthyl-4-oxo-3,4,6,7-tétrahydrothiéno[3,2-d]pyrimidin-2-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: 1.728
Molar Refractivity: 125.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.80
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 569.53
ACD/KOC (pH 5.5): 3265.86
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 569.53
ACD/KOC (pH 7.4): 3265.85
Polar Surface Area: 131 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 61.1±7.0 dyne/cm
Molar Volume: 315.9±7.0 cm3

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