ChemSpider 2D Image | Methyl 2-{[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]methyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate | C22H24N4O7S2

Methyl 2-{[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]methyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate

  • Molecular FormulaC22H24N4O7S2
  • Average mass520.579 Da
  • Monoisotopic mass520.108643 Da
  • ChemSpider ID1792442

More details:

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

2-{[4-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-pipérazinyl]méthyl}-5-méthyl-4-oxo-3,4-dihydrothiéno[2,3-d]pyrimidine-6-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 2-{[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]methyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Methyl-2-{[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]methyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
Thieno[2,3-d]pyrimidine-6-carboxylic acid, 2-[[4-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfonyl]-1-piperazinyl]methyl]-3,4-dihydro-5-methyl-4-oxo-, methyl ester [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.729
Molar Refractivity: 128.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 23.53
ACD/KOC (pH 5.5): 332.28
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 23.86
ACD/KOC (pH 7.4): 336.94
Polar Surface Area: 163 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 67.4±7.0 dyne/cm
Molar Volume: 321.8±7.0 cm3

Click to predict properties on the Chemicalize site


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