ChemSpider 2D Image | Ethyl [5-(1-{benzyl[(5,8-dimethyl-2-oxo-1,2-dihydro-3-quinolinyl)methyl]amino}-2-methylpropyl)-1H-tetrazol-1-yl]acetate | C28H34N6O3

Ethyl [5-(1-{benzyl[(5,8-dimethyl-2-oxo-1,2-dihydro-3-quinolinyl)methyl]amino}-2-methylpropyl)-1H-tetrazol-1-yl]acetate

  • Molecular FormulaC28H34N6O3
  • Average mass502.608 Da
  • Monoisotopic mass502.269226 Da
  • ChemSpider ID2454484

More details:

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

[5-(1-{Benzyl[(5,8-diméthyl-2-oxo-1,2-dihydro-3-quinoléinyl)méthyl]amino}-2-méthylpropyl)-1H-tétrazol-1-yl]acétate d'éthyle [French] [ACD/IUPAC Name]
1H-Tetrazole-1-acetic acid, 5-[1-[[(1,2-dihydro-5,8-dimethyl-2-oxo-3-quinolinyl)methyl](phenylmethyl)amino]-2-methylpropyl]-, ethyl ester [ACD/Index Name]
Ethyl [5-(1-{benzyl[(5,8-dimethyl-2-oxo-1,2-dihydro-3-quinolinyl)methyl]amino}-2-methylpropyl)-1H-tetrazol-1-yl]acetate [ACD/IUPAC Name]
Ethyl-[5-(1-{benzyl[(5,8-dimethyl-2-oxo-1,2-dihydro-3-chinolinyl)methyl]amino}-2-methylpropyl)-1H-tetrazol-1-yl]acetat [German] [ACD/IUPAC Name]

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

ASN 05380555 [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: 694.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 374.0±31.5 °C
Index of Refraction: 1.626
Molar Refractivity: 143.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.95
ACD/LogD (pH 5.5): 4.11
ACD/BCF (pH 5.5): 777.37
ACD/KOC (pH 5.5): 4061.63
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 789.92
ACD/KOC (pH 7.4): 4127.21
Polar Surface Area: 102 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 45.9±7.0 dyne/cm
Molar Volume: 405.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement