ChemSpider 2D Image | Ethyl N-({6-({[2-(1H-indol-3-yl)ethyl]carbamothioyl}amino)-3-[(4-methyl-1-piperazinyl)methyl]-1H-indol-1-yl}acetyl)glycinate | C31H39N7O3S

Ethyl N-({6-({[2-(1H-indol-3-yl)ethyl]carbamothioyl}amino)-3-[(4-methyl-1-piperazinyl)methyl]-1H-indol-1-yl}acetyl)glycinate

  • Molecular FormulaC31H39N7O3S
  • Average mass589.752 Da
  • Monoisotopic mass589.283508 Da
  • ChemSpider ID90622930

More details:

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

Ethyl N-({6-({[2-(1H-indol-3-yl)ethyl]carbamothioyl}amino)-3-[(4-methyl-1-piperazinyl)methyl]-1H-indol-1-yl}acetyl)glycinate [ACD/IUPAC Name]
Ethyl-N-({6-({[2-(1H-indol-3-yl)ethyl]carbamothioyl}amino)-3-[(4-methyl-1-piperazinyl)methyl]-1H-indol-1-yl}acetyl)glycinat [German] [ACD/IUPAC Name]
Glycine, N-[2-[6-[[[[2-(1H-indol-3-yl)ethyl]amino]thioxomethyl]amino]-3-[(4-methyl-1-piperazinyl)methyl]-1H-indol-1-yl]acetyl]-, ethyl ester [ACD/Index Name]
N-(2-{6-({[2-(1H-Indol-3-yl)éthyl]carbamothioyl}amino)-3-[(4-méthyl-1-pipérazinyl)méthyl]-1H-indol-1-yl}acétyl)glycinate d'éthyle [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: 1.669
Molar Refractivity: 166.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 1.44
ACD/LogD (pH 5.5): 0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.08
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 11.70
ACD/KOC (pH 7.4): 147.70
Polar Surface Area: 139 Å2
Polarizability: 66.1±0.5 10-24cm3
Surface Tension: 52.3±7.0 dyne/cm
Molar Volume: 447.3±7.0 cm3

Click to predict properties on the Chemicalize site


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