ChemSpider 2D Image | 3-[([2-(3,4-Dimethoxyphenyl)ethyl]{[1-(2-methyl-2-propanyl)-1H-tetrazol-5-yl]methyl}amino)methyl]-5,8-dimethyl-2(1H)-quinolinone | C28H36N6O3

3-[([2-(3,4-Dimethoxyphenyl)ethyl]{[1-(2-methyl-2-propanyl)-1H-tetrazol-5-yl]methyl}amino)methyl]-5,8-dimethyl-2(1H)-quinolinone

  • Molecular FormulaC28H36N6O3
  • Average mass504.624 Da
  • Monoisotopic mass504.284882 Da
  • ChemSpider ID990910

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]-5,8-dimethyl- [ACD/Index Name]
3-[([2-(3,4-Dimethoxyphenyl)ethyl]{[1-(2-methyl-2-propanyl)-1H-tetrazol-5-yl]methyl}amino)methyl]-5,8-dimethyl-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]-5,8-diméthyl-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]-5,8-dimethyl-2(1H)-quinolinone [ACD/IUPAC Name]

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

ASN 04369709 [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: 706.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 381.2±32.9 °C
Index of Refraction: 1.606
Molar Refractivity: 144.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 678.97
ACD/KOC (pH 5.5): 3611.06
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 741.34
ACD/KOC (pH 7.4): 3942.82
Polar Surface Area: 94 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 42.6±7.0 dyne/cm
Molar Volume: 418.6±7.0 cm3

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