ChemSpider 2D Image | 4-[2-({[2-(2,6-Diethylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)-3-({1-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]ethyl}amino)-3-oxopropyl]phenyl acetate | C41H39N5O7S

4-[2-({[2-(2,6-Diethylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)-3-({1-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]ethyl}amino)-3-oxopropyl]phenyl acetate

  • Molecular FormulaC41H39N5O7S
  • Average mass745.843 Da
  • Monoisotopic mass745.257019 Da
  • ChemSpider ID121091107

More details:

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

1H-Isoindole-5-carboxamide, N-[1-[[4-(acetyloxy)phenyl]methyl]-2-[[1-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]ethyl]amino]-2-oxoethyl]-2-(2,6-diethylphenyl)-2,3-dihydro-1,3-dioxo- [ACD/Index Name]
4-[2-({[2-(2,6-Diethylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)-3-({1-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]ethyl}amino)-3-oxopropyl]phenyl acetate [ACD/IUPAC Name]
4-[2-({[2-(2,6-Diethylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)-3-({1-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]ethyl}amino)-3-oxopropyl]phenyl-acetat [German] [ACD/IUPAC Name]
Acétate de 4-[2-({[2-(2,6-diéthylphényl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)-3-({1-[5-(4-méthoxyphényl)-1,3,4-thiadiazol-2-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: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.631
Molar Refractivity: 203.1±0.3 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 6.86
ACD/LogD (pH 5.5): 5.46
ACD/BCF (pH 5.5): 8303.47
ACD/KOC (pH 5.5): 22232.88
ACD/LogD (pH 7.4): 5.46
ACD/BCF (pH 7.4): 8303.42
ACD/KOC (pH 7.4): 22232.76
Polar Surface Area: 185 Å2
Polarizability: 80.5±0.5 10-24cm3
Surface Tension: 58.9±3.0 dyne/cm
Molar Volume: 570.1±3.0 cm3

Click to predict properties on the Chemicalize site


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