ChemSpider 2D Image | 4-(2-[(2-Benzoylbenzoyl)amino]-3-{[2-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]amino}-3-oxopropyl)phenyl acetate | C31H28N6O5S

4-(2-[(2-Benzoylbenzoyl)amino]-3-{[2-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]amino}-3-oxopropyl)phenyl acetate

  • Molecular FormulaC31H28N6O5S
  • Average mass596.656 Da
  • Monoisotopic mass596.184204 Da
  • ChemSpider ID121018680

More details:

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

4-(2-[(2-Benzoylbenzoyl)amino]-3-{[2-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]amino}-3-oxopropyl)phenyl acetate [ACD/IUPAC Name]
4-(2-[(2-Benzoylbenzoyl)amino]-3-{[2-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]amino}-3-oxopropyl)phenyl-acetat [German] [ACD/IUPAC Name]
Acétate de 4-(2-[(2-benzoylbenzoyl)amino]-3-{[2-(3-méthyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)éthyl]amino}-3-oxopropyl)phényle [French] [ACD/IUPAC Name]
Benzenepropanamide, 4-(acetyloxy)-α-[(2-benzoylbenzoyl)amino]-N-[2-(3-methyl-1,2,4-triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]- [ACD/Index 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: 1.687
Molar Refractivity: 164.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 236.42
ACD/KOC (pH 5.5): 1740.57
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 236.42
ACD/KOC (pH 7.4): 1740.58
Polar Surface Area: 173 Å2
Polarizability: 65.1±0.5 10-24cm3
Surface Tension: 57.6±7.0 dyne/cm
Molar Volume: 430.8±7.0 cm3

Click to predict properties on the Chemicalize site


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