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

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

  • Molecular FormulaC31H39N7O2
  • Average mass541.687 Da
  • Monoisotopic mass541.316528 Da
  • ChemSpider ID2427882

More details:

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

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

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

ASN 03777652 [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: 762.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.0±3.0 kJ/mol
Flash Point: 414.6±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: 5.43
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 91.47
ACD/KOC (pH 5.5): 465.07
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 784.99
ACD/KOC (pH 7.4): 3991.05
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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