ChemSpider 2D Image | 3-{(1-Cyclopentyl-1H-tetrazol-5-yl)[4-(2-methoxybenzyl)-1-piperazinyl]methyl}-6-ethyl-2(1H)-quinolinone | C30H37N7O2

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

  • Molecular FormulaC30H37N7O2
  • Average mass527.661 Da
  • Monoisotopic mass527.300903 Da
  • ChemSpider ID2438329

More details:

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

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

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

ASN 04418480 [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: 746.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.8±3.0 kJ/mol
Flash Point: 405.1±32.9 °C
Index of Refraction: 1.689
Molar Refractivity: 151.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.87
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 41.88
ACD/KOC (pH 5.5): 247.85
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 446.23
ACD/KOC (pH 7.4): 2641.01
Polar Surface Area: 88 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 53.8±7.0 dyne/cm
Molar Volume: 396.9±7.0 cm3

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