ChemSpider 2D Image | Ethyl 1-{[1-(4-methoxybenzyl)-1H-tetrazol-5-yl](6-oxo-5,6-dihydro[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl}-4-piperidinecarboxylate | C28H30N6O6

Ethyl 1-{[1-(4-methoxybenzyl)-1H-tetrazol-5-yl](6-oxo-5,6-dihydro[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl}-4-piperidinecarboxylate

  • Molecular FormulaC28H30N6O6
  • Average mass546.574 Da
  • Monoisotopic mass546.222656 Da
  • ChemSpider ID2434892

More details:

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

1-{[1-(4-Méthoxybenzyl)-1H-tétrazol-5-yl](6-oxo-5,6-dihydro[1,3]dioxolo[4,5-g]quinoléin-7-yl)méthyl}-4-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[(5,6-dihydro-6-oxo-1,3-dioxolo[4,5-g]quinolin-7-yl)[1-[(4-methoxyphenyl)methyl]-1H-tetrazol-5-yl]methyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-{[1-(4-methoxybenzyl)-1H-tetrazol-5-yl](6-oxo-5,6-dihydro[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl}-4-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-{[1-(4-methoxybenzyl)-1H-tetrazol-5-yl](6-oxo-5,6-dihydro[1,3]dioxolo[4,5-g]chinolin-7-yl)methyl}-4-piperidincarboxylat [German] [ACD/IUPAC Name]

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

ASN 04190510 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 766.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.6±3.0 kJ/mol
Flash Point: 417.2±32.9 °C
Index of Refraction: 1.700
Molar Refractivity: 143.3±0.5 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.40
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 94.81
ACD/KOC (pH 5.5): 886.85
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 101.69
ACD/KOC (pH 7.4): 951.21
Polar Surface Area: 130 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 58.9±7.0 dyne/cm
Molar Volume: 370.7±7.0 cm3

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