ChemSpider 2D Image | 4-[2-({[2-(1,3-Benzodioxol-5-ylmethyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)-3-{[2-(imidazo[2,1-b][1,3]thiazol-6-yl)ethyl]amino}-3-oxopropyl]phenyl acetate | C35H29N5O8S

4-[2-({[2-(1,3-Benzodioxol-5-ylmethyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)-3-{[2-(imidazo[2,1-b][1,3]thiazol-6-yl)ethyl]amino}-3-oxopropyl]phenyl acetate

  • Molecular FormulaC35H29N5O8S
  • Average mass679.698 Da
  • Monoisotopic mass679.173706 Da
  • ChemSpider ID121016653

More details:

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

1H-Isoindole-5-carboxamide, N-[1-[[4-(acetyloxy)phenyl]methyl]-2-[(2-imidazo[2,1-b]thiazol-6-ylethyl)amino]-2-oxoethyl]-2-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-1,3-dioxo- [ACD/Index Name]
4-[2-({[2-(1,3-Benzodioxol-5-ylmethyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)-3-{[2-(imidazo[2,1-b][1,3]thiazol-6-yl)ethyl]amino}-3-oxopropyl]phenyl acetate [ACD/IUPAC Name]
4-[2-({[2-(1,3-Benzodioxol-5-ylmethyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)-3-{[2-(imidazo[2,1-b][1,3]thiazol-6-yl)ethyl]amino}-3-oxopropyl]phenyl-acetat [German] [ACD/IUPAC Name]
Acétate de 4-[2-({[2-(1,3-benzodioxol-5-ylméthyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)-3-{[2-(imidazo[2,1-b][1,3]thiazol-6-yl)éthyl]amino}-3-oxopropyl]phényle [French] [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: 1.727
Molar Refractivity: 179.1±0.5 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 9.32
ACD/KOC (pH 5.5): 67.37
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 185.83
ACD/KOC (pH 7.4): 1343.17
Polar Surface Area: 186 Å2
Polarizability: 71.0±0.5 10-24cm3
Surface Tension: 64.9±7.0 dyne/cm
Molar Volume: 450.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement