ChemSpider 2D Image | 1-(5,6-Dimethyl-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidin-2-yl)ethyl N-{[4-(methylamino)-3-nitrophenyl]sulfonyl}glycinate | C19H21N5O7S2

1-(5,6-Dimethyl-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidin-2-yl)ethyl N-{[4-(methylamino)-3-nitrophenyl]sulfonyl}glycinate

  • Molecular FormulaC19H21N5O7S2
  • Average mass495.529 Da
  • Monoisotopic mass495.088226 Da
  • ChemSpider ID21976923

More details:

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

1-(5,6-Dimethyl-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidin-2-yl)ethyl N-{[4-(methylamino)-3-nitrophenyl]sulfonyl}glycinate [ACD/IUPAC Name]
1-(5,6-Dimethyl-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidin-2-yl)ethyl-N-{[4-(methylamino)-3-nitrophenyl]sulfonyl}glycinat [German] [ACD/IUPAC Name]
Glycine, N-[[4-(methylamino)-3-nitrophenyl]sulfonyl]-, 1-(3,4-dihydro-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)ethyl ester [ACD/Index Name]
N-{[4-(Méthylamino)-3-nitrophényl]sulfonyl}glycinate de 1-(5,6-diméthyl-4-oxo-1,4-dihydrothiéno[2,3-d]pyrimidin-2-yl)éthyle [French] [ACD/IUPAC 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: 1.706
Molar Refractivity: 120.3±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 47.26
ACD/KOC (pH 5.5): 549.66
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 44.14
ACD/KOC (pH 7.4): 513.37
Polar Surface Area: 208 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 65.4±7.0 dyne/cm
Molar Volume: 309.2±7.0 cm3

Click to predict properties on the Chemicalize site


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