ChemSpider 2D Image | Dimethyl 3-methyl-5-{[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]amino}-2,4-thiophenedicarboxylate | C18H18N2O8S2

Dimethyl 3-methyl-5-{[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]amino}-2,4-thiophenedicarboxylate

  • Molecular FormulaC18H18N2O8S2
  • Average mass454.474 Da
  • Monoisotopic mass454.050446 Da
  • ChemSpider ID27369346

More details:

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

2,4-Thiophenedicarboxylic acid, 5-[[(3,4-dihydro-2-methyl-3-oxo-2H-1,4-benzoxazin-6-yl)sulfonyl]amino]-3-methyl-, dimethyl ester [ACD/Index Name]
3-Méthyl-5-{[(2-méthyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]amino}-2,4-thiophènedicarboxylate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 3-methyl-5-{[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]amino}-2,4-thiophenedicarboxylate [ACD/IUPAC Name]
Dimethyl-3-methyl-5-{[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]amino}-2,4-thiophendicarboxylat [German] [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: 1.600
Molar Refractivity: 106.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.10
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 575.01
ACD/KOC (pH 5.5): 3030.28
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 34.94
ACD/KOC (pH 7.4): 184.16
Polar Surface Area: 174 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 57.5±3.0 dyne/cm
Molar Volume: 310.5±3.0 cm3

Click to predict properties on the Chemicalize site


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