ChemSpider 2D Image | 3-{(4-Cyclohexyl-1-piperazinyl)[1-(4-methoxybenzyl)-1H-tetrazol-5-yl]methyl}-6-ethyl-2(1H)-quinolinone | C31H39N7O2

3-{(4-Cyclohexyl-1-piperazinyl)[1-(4-methoxybenzyl)-1H-tetrazol-5-yl]methyl}-6-ethyl-2(1H)-quinolinone

  • Molecular FormulaC31H39N7O2
  • Average mass541.687 Da
  • Monoisotopic mass541.316528 Da
  • ChemSpider ID2433707

More details:

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

2(1H)-Quinolinone, 3-[(4-cyclohexyl-1-piperazinyl)[1-[(4-methoxyphenyl)methyl]-1H-tetrazol-5-yl]methyl]-6-ethyl- [ACD/Index Name]
3-{(4-Cyclohexyl-1-piperazinyl)[1-(4-methoxybenzyl)-1H-tetrazol-5-yl]methyl}-6-ethyl-2(1H)-chinolinon [German] [ACD/IUPAC Name]
3-{(4-Cyclohexyl-1-pipérazinyl)[1-(4-méthoxybenzyl)-1H-tétrazol-5-yl]méthyl}-6-éthyl-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
3-{(4-Cyclohexyl-1-piperazinyl)[1-(4-methoxybenzyl)-1H-tetrazol-5-yl]methyl}-6-ethyl-2(1H)-quinolinone [ACD/IUPAC Name]

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

ASN 04186660 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 773.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.6±3.0 kJ/mol
Flash Point: 421.6±32.9 °C
Index of Refraction: 1.680
Molar Refractivity: 156.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.74
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 7.89
ACD/KOC (pH 5.5): 37.11
ACD/LogD (pH 7.4): 3.84
ACD/BCF (pH 7.4): 375.94
ACD/KOC (pH 7.4): 1767.78
Polar Surface Area: 88 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 52.9±7.0 dyne/cm
Molar Volume: 413.0±7.0 cm3

Click to predict properties on the Chemicalize site


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