ChemSpider 2D Image | 4-[2-({[2-(4-Methoxybenzyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)-3-oxo-3-({[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl}amino)propyl]phenyl acetate | C35H29N5O8S

4-[2-({[2-(4-Methoxybenzyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)-3-oxo-3-({[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl}amino)propyl]phenyl acetate

  • Molecular FormulaC35H29N5O8S
  • Average mass679.698 Da
  • Monoisotopic mass679.173706 Da
  • ChemSpider ID121059746

More details:

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

1H-Isoindole-5-carboxamide, N-[1-[[4-(acetyloxy)phenyl]methyl]-2-oxo-2-[[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]amino]ethyl]-2,3-dihydro-2-[(4-methoxyphenyl)methyl]-1,3-dioxo- [ACD/Index Name]
4-[2-({[2-(4-Methoxybenzyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)-3-oxo-3-({[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl}amino)propyl]phenyl acetate [ACD/IUPAC Name]
4-[2-({[2-(4-Methoxybenzyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)-3-oxo-3-({[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl}amino)propyl]phenyl-acetat [German] [ACD/IUPAC Name]
Acétate de 4-[2-({[2-(4-méthoxybenzyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)-3-oxo-3-({[3-(2-thiényl)-1,2,4-oxadiazol-5-yl]méthyl}amino)propyl]phényle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.649
Molar Refractivity: 176.4±0.3 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 3.75
ACD/BCF (pH 5.5): 418.27
ACD/KOC (pH 5.5): 2618.43
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 418.26
ACD/KOC (pH 7.4): 2618.38
Polar Surface Area: 198 Å2
Polarizability: 69.9±0.5 10-24cm3
Surface Tension: 66.0±3.0 dyne/cm
Molar Volume: 484.1±3.0 cm3

Click to predict properties on the Chemicalize site


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