ChemSpider 2D Image | Ethyl [5-(1-{[(6,7-dimethyl-2-oxo-1,2-dihydro-3-quinolinyl)methyl](2-phenylethyl)amino}propyl)-1H-tetrazol-1-yl]acetate | C28H34N6O3

Ethyl [5-(1-{[(6,7-dimethyl-2-oxo-1,2-dihydro-3-quinolinyl)methyl](2-phenylethyl)amino}propyl)-1H-tetrazol-1-yl]acetate

  • Molecular FormulaC28H34N6O3
  • Average mass502.608 Da
  • Monoisotopic mass502.269226 Da
  • ChemSpider ID2450903

More details:

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

[5-(1-{[(6,7-Diméthyl-2-oxo-1,2-dihydro-3-quinoléinyl)méthyl](2-phényléthyl)amino}propyl)-1H-tétrazol-1-yl]acétate d'éthyle [French] [ACD/IUPAC Name]
1H-Tetrazole-1-acetic acid, 5-[1-[[(1,2-dihydro-6,7-dimethyl-2-oxo-3-quinolinyl)methyl](2-phenylethyl)amino]propyl]-, ethyl ester [ACD/Index Name]
Ethyl [5-(1-{[(6,7-dimethyl-2-oxo-1,2-dihydro-3-quinolinyl)methyl](2-phenylethyl)amino}propyl)-1H-tetrazol-1-yl]acetate [ACD/IUPAC Name]
Ethyl-[5-(1-{[(6,7-dimethyl-2-oxo-1,2-dihydro-3-chinolinyl)methyl](2-phenylethyl)amino}propyl)-1H-tetrazol-1-yl]acetat [German] [ACD/IUPAC Name]

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

ASN 05300501 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 722.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.5±3.0 kJ/mol
Flash Point: 390.7±32.9 °C
Index of Refraction: 1.626
Molar Refractivity: 143.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.61
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 664.49
ACD/KOC (pH 5.5): 3444.79
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 809.87
ACD/KOC (pH 7.4): 4198.45
Polar Surface Area: 102 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 46.9±7.0 dyne/cm
Molar Volume: 406.7±7.0 cm3

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