ChemSpider 2D Image | Ethyl 4-({6-[4-(1H-indol-3-yl)-2-butanyl]-6-azaspiro[2.5]oct-1-yl}carbonyl)-1-piperazinecarboxylate | C27H38N4O3

Ethyl 4-({6-[4-(1H-indol-3-yl)-2-butanyl]-6-azaspiro[2.5]oct-1-yl}carbonyl)-1-piperazinecarboxylate

  • Molecular FormulaC27H38N4O3
  • Average mass466.616 Da
  • Monoisotopic mass466.294403 Da
  • ChemSpider ID22227799

More details:

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

1-Piperazinecarboxylic acid, 4-[[6-[3-(1H-indol-3-yl)-1-methylpropyl]-6-azaspiro[2.5]oct-1-yl]carbonyl]-, ethyl ester [ACD/Index Name]
4-({6-[4-(1H-Indol-3-yl)-2-butanyl]-6-azaspiro[2.5]oct-1-yl}carbonyl)-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-({6-[4-(1H-indol-3-yl)-2-butanyl]-6-azaspiro[2.5]oct-1-yl}carbonyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-({6-[4-(1H-indol-3-yl)-2-butanyl]-6-azaspiro[2.5]oct-1-yl}carbonyl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
ethyl 4-({6-[3-(1H-indol-3-yl)-1-methylpropyl]-6-azaspiro[2.5]oct-1-yl}carbonyl)-1-piperazinecarboxylate
ETHYL 4-{6-[4-(1H-INDOL-3-YL)BUTAN-2-YL]-6-AZASPIRO[2.5]OCTANE-1-CARBONYL}PIPERAZINE-1-CARBOXYLATE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 670.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.5±3.0 kJ/mol
Flash Point: 359.3±31.5 °C
Index of Refraction: 1.627
Molar Refractivity: 133.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.62
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 1.34
ACD/KOC (pH 7.4): 7.73
Polar Surface Area: 69 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 58.9±5.0 dyne/cm
Molar Volume: 377.1±5.0 cm3

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