ChemSpider 2D Image | 1-(5,6-Dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)ethyl 2-{[(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)sulfonyl]amino}benzoate | C24H21N5O6S2

1-(5,6-Dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)ethyl 2-{[(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)sulfonyl]amino}benzoate

  • Molecular FormulaC24H21N5O6S2
  • Average mass539.583 Da
  • Monoisotopic mass539.093323 Da
  • ChemSpider ID4032322

More details:

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

1-(5,6-Dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)ethyl 2-{[(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)sulfonyl]amino}benzoate [ACD/IUPAC Name]
1-(5,6-Dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)ethyl-2-{[(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)sulfonyl]amino}benzoat [German] [ACD/IUPAC Name]
2-{[(2-Oxo-2,3-dihydro-1H-benzimidazol-5-yl)sulfonyl]amino}benzoate de 1-(5,6-diméthyl-4-oxo-3,4-dihydrothiéno[2,3-d]pyrimidin-2-yl)éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)sulfonyl]amino]-, 1-(3,4-dihydro-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)ethyl 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: 1.767
Molar Refractivity: 136.6±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 133.28
ACD/KOC (pH 5.5): 1152.36
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 94.41
ACD/KOC (pH 7.4): 816.28
Polar Surface Area: 192 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 68.8±7.0 dyne/cm
Molar Volume: 329.9±7.0 cm3

Click to predict properties on the Chemicalize site


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