ChemSpider 2D Image | Dimethyl 3-methyl-5-[(oxo{[4-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]amino}acetyl)amino]-2,4-thiophenedicarboxylate | C21H16N4O8S2

Dimethyl 3-methyl-5-[(oxo{[4-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]amino}acetyl)amino]-2,4-thiophenedicarboxylate

  • Molecular FormulaC21H16N4O8S2
  • Average mass516.504 Da
  • Monoisotopic mass516.040955 Da
  • ChemSpider ID112694699

More details:

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

2,4-Thiophenedicarboxylic acid, 5-[[2-[[4-(2,3-dihydro-2-oxo-6-benzoxazolyl)-2-thiazolyl]amino]-1,2-dioxoethyl]amino]-3-methyl-, dimethyl ester [ACD/Index Name]
3-Méthyl-5-[(2-oxo-2-{[4-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]amino}acétyl)amino]-2,4-thiophènedicarboxylate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 3-methyl-5-[(oxo{[4-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]amino}acetyl)amino]-2,4-thiophenedicarboxylate [ACD/IUPAC Name]
Dimethyl-3-methyl-5-[(oxo{[4-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]amino}acetyl)amino]-2,4-thiophendicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.698
Molar Refractivity: 125.6±0.3 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.48
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 41.08
ACD/KOC (pH 5.5): 251.27
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 4.86
ACD/KOC (pH 7.4): 29.72
Polar Surface Area: 219 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 78.2±3.0 dyne/cm
Molar Volume: 325.7±3.0 cm3

Click to predict properties on the Chemicalize site


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