ChemSpider 2D Image | 3-[([2-(3,4-Dimethoxyphenyl)ethyl]{[1-(2-methyl-2-propanyl)-1H-tetrazol-5-yl]methyl}amino)methyl]-6-ethyl-2(1H)-quinolinone | C28H36N6O3

3-[([2-(3,4-Dimethoxyphenyl)ethyl]{[1-(2-methyl-2-propanyl)-1H-tetrazol-5-yl]methyl}amino)methyl]-6-ethyl-2(1H)-quinolinone

  • Molecular FormulaC28H36N6O3
  • Average mass504.624 Da
  • Monoisotopic mass504.284882 Da
  • ChemSpider ID990557

More details:

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

2(1H)-Quinolinone, 3-[[[2-(3,4-dimethoxyphenyl)ethyl][[1-(1,1-dimethylethyl)-1H-tetrazol-5-yl]methyl]amino]methyl]-6-ethyl- [ACD/Index Name]
3-[([2-(3,4-Dimethoxyphenyl)ethyl]{[1-(2-methyl-2-propanyl)-1H-tetrazol-5-yl]methyl}amino)methyl]-6-ethyl-2(1H)-chinolinon [German] [ACD/IUPAC Name]
3-[([2-(3,4-Diméthoxyphényl)éthyl]{[1-(2-méthyl-2-propanyl)-1H-tétrazol-5-yl]méthyl}amino)méthyl]-6-éthyl-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
3-[([2-(3,4-Dimethoxyphenyl)ethyl]{[1-(2-methyl-2-propanyl)-1H-tetrazol-5-yl]methyl}amino)methyl]-6-ethyl-2(1H)-quinolinone [ACD/IUPAC Name]

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

ASN 04369110 [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: 717.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 387.5±32.9 °C
Index of Refraction: 1.605
Molar Refractivity: 144.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.97
ACD/LogD (pH 5.5): 3.91
ACD/BCF (pH 5.5): 542.10
ACD/KOC (pH 5.5): 3073.95
ACD/LogD (pH 7.4): 3.95
ACD/BCF (pH 7.4): 591.70
ACD/KOC (pH 7.4): 3355.20
Polar Surface Area: 94 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 43.5±7.0 dyne/cm
Molar Volume: 419.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement