ChemSpider 2D Image | Ethyl 4-{N-[(4,6-dimethoxy-1-methyl-1H-indol-2-yl)carbonyl]-D-alanyl}-1-piperazinecarboxylate | C22H30N4O6

Ethyl 4-{N-[(4,6-dimethoxy-1-methyl-1H-indol-2-yl)carbonyl]-D-alanyl}-1-piperazinecarboxylate

  • Molecular FormulaC22H30N4O6
  • Average mass446.497 Da
  • Monoisotopic mass446.216522 Da
  • ChemSpider ID21804603

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Piperazinecarboxylic acid, 4-[(2R)-2-[[(4,6-dimethoxy-1-methyl-1H-indol-2-yl)carbonyl]amino]-1-oxopropyl]-, ethyl ester [ACD/Index Name]
4-{N-[(4,6-Diméthoxy-1-méthyl-1H-indol-2-yl)carbonyl]-D-alanyl}-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{N-[(4,6-dimethoxy-1-methyl-1H-indol-2-yl)carbonyl]-D-alanyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{N-[(4,6-dimethoxy-1-methyl-1H-indol-2-yl)carbonyl]-D-alanyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]
(R)-ethyl 4-(2-(4,6-dimethoxy-1-methyl-1H-indole-2-carboxamido)propanoyl)piperazine-1-carboxylate
4-{2-[(4,6-Dimethoxy-1-methyl-1H-indole-2-carbonyl)-amino]-propionyl}-piperazine-1-carboxylic acid ethyl ester

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 710.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 383.7±32.9 °C
Index of Refraction: 1.594
Molar Refractivity: 117.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.50
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 10.13
ACD/KOC (pH 5.5): 182.61
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 10.13
ACD/KOC (pH 7.4): 182.62
Polar Surface Area: 102 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 46.0±7.0 dyne/cm
Molar Volume: 345.0±7.0 cm3

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