ChemSpider 2D Image | 1-(5,6-Dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)ethyl 4-({[2-methyl-5-(2-methyl-2-propanyl)phenyl]sulfonyl}amino)benzoate | C28H31N3O5S2

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

  • Molecular FormulaC28H31N3O5S2
  • Average mass553.693 Da
  • Monoisotopic mass553.170532 Da
  • ChemSpider ID4019909

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 4-({[2-methyl-5-(2-methyl-2-propanyl)phenyl]sulfonyl}amino)benzoate [ACD/IUPAC Name]
1-(5,6-Dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)ethyl-4-({[2-methyl-5-(2-methyl-2-propanyl)phenyl]sulfonyl}amino)benzoat [German] [ACD/IUPAC Name]
4-({[2-Méthyl-5-(2-méthyl-2-propanyl)phényl]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, 4-[[[5-(1,1-dimethylethyl)-2-methylphenyl]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: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.639
Molar Refractivity: 150.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.71
ACD/LogD (pH 5.5): 5.47
ACD/BCF (pH 5.5): 8433.46
ACD/KOC (pH 5.5): 22396.30
ACD/LogD (pH 7.4): 5.16
ACD/BCF (pH 7.4): 4165.21
ACD/KOC (pH 7.4): 11061.35
Polar Surface Area: 151 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 47.8±7.0 dyne/cm
Molar Volume: 417.9±7.0 cm3

Click to predict properties on the Chemicalize site


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