Found 1 result

Search term: HVNJUQSCSNJWDJ (Found by InChIKey (skeleton match))

ChemSpider 2D Image | Dimethyl 5-({[(4-{2-[(2-hydroxyethyl)amino]-2-oxoethyl}-1,2,5-oxadiazol-3-yl)oxy]acetyl}amino)-3-methyl-2,4-thiophenedicarboxylate | C17H20N4O9S

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

  • Molecular FormulaC17H20N4O9S
  • Average mass456.427 Da
  • Monoisotopic mass456.095093 Da
  • ChemSpider ID125090474

More details:






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

2,4-Thiophenedicarboxylic acid, 5-[[2-[[4-[2-[(2-hydroxyethyl)amino]-2-oxoethyl]-1,2,5-oxadiazol-3-yl]oxy]acetyl]amino]-3-methyl-, dimethyl ester [ACD/Index Name]
5-({2-[(4-{2-[(2-Hydroxyéthyl)amino]-2-oxoéthyl}-1,2,5-oxadiazol-3-yl)oxy]acétyl}amino)-3-méthyl-2,4-thiophènedicarboxylate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 5-({[(4-{2-[(2-hydroxyethyl)amino]-2-oxoethyl}-1,2,5-oxadiazol-3-yl)oxy]acetyl}amino)-3-methyl-2,4-thiophenedicarboxylate [ACD/IUPAC Name]
Dimethyl-5-({[(4-{2-[(2-hydroxyethyl)amino]-2-oxoethyl}-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: 1.597
Molar Refractivity: 106.0±0.3 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 0.07
ACD/LogD (pH 5.5): 0.66
ACD/BCF (pH 5.5): 1.86
ACD/KOC (pH 5.5): 54.16
ACD/LogD (pH 7.4): 0.66
ACD/BCF (pH 7.4): 1.85
ACD/KOC (pH 7.4): 54.14
Polar Surface Area: 207 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 64.6±3.0 dyne/cm
Molar Volume: 311.0±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement