ChemSpider 2D Image | Ethyl 3-{1-(4-chlorobenzyl)-7-[6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1-hexyn-1-yl]-2,5-dioxo-1,2,3,5-tetrahydro-4H-1,4-benzodiazepin-4-yl}propanoate | C32H38ClN3O6

Ethyl 3-{1-(4-chlorobenzyl)-7-[6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1-hexyn-1-yl]-2,5-dioxo-1,2,3,5-tetrahydro-4H-1,4-benzodiazepin-4-yl}propanoate

  • Molecular FormulaC32H38ClN3O6
  • Average mass596.114 Da
  • Monoisotopic mass595.244934 Da
  • ChemSpider ID9268326

More details:

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

3-{1-(4-Chlorobenzyl)-7-[6-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-1-hexyn-1-yl]-2,5-dioxo-1,2,3,5-tétrahydro-4H-1,4-benzodiazépin-4-yl}propanoate d'éthyle [French] [ACD/IUPAC Name]
4H-1,4-Benzodiazepine-4-propanoic acid, 1-[(4-chlorophenyl)methyl]-7-[6-[[(1,1-dimethylethoxy)carbonyl]amino]-1-hexyn-1-yl]-1,2,3,5-tetrahydro-2,5-dioxo-, ethyl ester [ACD/Index Name]
Ethyl 3-{1-(4-chlorobenzyl)-7-[6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1-hexyn-1-yl]-2,5-dioxo-1,2,3,5-tetrahydro-4H-1,4-benzodiazepin-4-yl}propanoate [ACD/IUPAC Name]
Ethyl-3-{1-(4-chlorbenzyl)-7-[6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1-hexin-1-yl]-2,5-dioxo-1,2,3,5-tetrahydro-4H-1,4-benzodiazepin-4-yl}propanoat [German] [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: 793.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.3±3.0 kJ/mol
Flash Point: 433.4±32.9 °C
Index of Refraction: 1.599
Molar Refractivity: 160.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 5.51
ACD/LogD (pH 5.5): 5.09
ACD/BCF (pH 5.5): 4310.57
ACD/KOC (pH 5.5): 13905.73
ACD/LogD (pH 7.4): 5.09
ACD/BCF (pH 7.4): 4310.56
ACD/KOC (pH 7.4): 13905.68
Polar Surface Area: 105 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 58.8±5.0 dyne/cm
Molar Volume: 469.0±5.0 cm3

Click to predict properties on the Chemicalize site


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