ChemSpider 2D Image | Dimethyl 5-{[({4-[(2-hydroxyethyl)carbamoyl]-1,2,5-oxadiazol-3-yl}oxy)acetyl]amino}-3-methyl-2,4-thiophenedicarboxylate | C16H18N4O9S

Dimethyl 5-{[({4-[(2-hydroxyethyl)carbamoyl]-1,2,5-oxadiazol-3-yl}oxy)acetyl]amino}-3-methyl-2,4-thiophenedicarboxylate

  • Molecular FormulaC16H18N4O9S
  • Average mass442.401 Da
  • Monoisotopic mass442.079437 Da
  • ChemSpider ID125122574

More details:

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

2,4-Thiophenedicarboxylic acid, 5-[[2-[[4-[[(2-hydroxyethyl)amino]carbonyl]-1,2,5-oxadiazol-3-yl]oxy]acetyl]amino]-3-methyl-, dimethyl ester [ACD/Index Name]
5-{[2-({4-[(2-Hydroxyéthyl)carbamoyl]-1,2,5-oxadiazol-3-yl}oxy)acétyl]amino}-3-méthyl-2,4-thiophènedicarboxylate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 5-{[({4-[(2-hydroxyethyl)carbamoyl]-1,2,5-oxadiazol-3-yl}oxy)acetyl]amino}-3-methyl-2,4-thiophenedicarboxylate [ACD/IUPAC Name]
Dimethyl-5-{[({4-[(2-hydroxyethyl)carbamoyl]-1,2,5-oxadiazol-3-yl}oxy)acetyl]amino}-3-methyl-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: 1.604
Molar Refractivity: 101.8±0.3 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.09
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 7.11
ACD/KOC (pH 5.5): 141.66
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 7.10
ACD/KOC (pH 7.4): 141.60
Polar Surface Area: 207 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 66.5±3.0 dyne/cm
Molar Volume: 296.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement