ChemSpider 2D Image | 3-{(1-Cyclohexyl-1H-tetrazol-5-yl)[4-(2-methoxybenzyl)-1-piperazinyl]methyl}-5,7-dimethyl-2(1H)-quinolinone | C31H39N7O2

3-{(1-Cyclohexyl-1H-tetrazol-5-yl)[4-(2-methoxybenzyl)-1-piperazinyl]methyl}-5,7-dimethyl-2(1H)-quinolinone

  • Molecular FormulaC31H39N7O2
  • Average mass541.687 Da
  • Monoisotopic mass541.316528 Da
  • ChemSpider ID2438771

More details:

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

2(1H)-Quinolinone, 3-[(1-cyclohexyl-1H-tetrazol-5-yl)[4-[(2-methoxyphenyl)methyl]-1-piperazinyl]methyl]-5,7-dimethyl- [ACD/Index Name]
3-{(1-Cyclohexyl-1H-tetrazol-5-yl)[4-(2-methoxybenzyl)-1-piperazinyl]methyl}-5,7-dimethyl-2(1H)-chinolinon [German] [ACD/IUPAC Name]
3-{(1-Cyclohexyl-1H-tétrazol-5-yl)[4-(2-méthoxybenzyl)-1-pipérazinyl]méthyl}-5,7-diméthyl-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
3-{(1-Cyclohexyl-1H-tetrazol-5-yl)[4-(2-methoxybenzyl)-1-piperazinyl]methyl}-5,7-dimethyl-2(1H)-quinolinone [ACD/IUPAC Name]

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

ASN 04421361 [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: 748.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.1±3.0 kJ/mol
Flash Point: 406.4±32.9 °C
Index of Refraction: 1.681
Molar Refractivity: 155.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.36
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 51.31
ACD/KOC (pH 5.5): 291.01
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 522.07
ACD/KOC (pH 7.4): 2961.02
Polar Surface Area: 88 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 51.9±7.0 dyne/cm
Molar Volume: 412.1±7.0 cm3

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