ChemSpider 2D Image | 3-[([2-(3,4-Dimethoxyphenyl)ethyl]{[1-(2-phenylethyl)-1H-tetrazol-5-yl]methyl}amino)methyl]-6,7-dimethoxy-2(1H)-quinolinone | C32H36N6O5

3-[([2-(3,4-Dimethoxyphenyl)ethyl]{[1-(2-phenylethyl)-1H-tetrazol-5-yl]methyl}amino)methyl]-6,7-dimethoxy-2(1H)-quinolinone

  • Molecular FormulaC32H36N6O5
  • Average mass584.665 Da
  • Monoisotopic mass584.274719 Da
  • ChemSpider ID2450234

More details:

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

2(1H)-Quinolinone, 3-[[[2-(3,4-dimethoxyphenyl)ethyl][[1-(2-phenylethyl)-1H-tetrazol-5-yl]methyl]amino]methyl]-6,7-dimethoxy- [ACD/Index Name]
3-[([2-(3,4-Dimethoxyphenyl)ethyl]{[1-(2-phenylethyl)-1H-tetrazol-5-yl]methyl}amino)methyl]-6,7-dimethoxy-2(1H)-chinolinon [German] [ACD/IUPAC Name]
3-[([2-(3,4-Diméthoxyphényl)éthyl]{[1-(2-phényléthyl)-1H-tétrazol-5-yl]méthyl}amino)méthyl]-6,7-diméthoxy-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
3-[([2-(3,4-Dimethoxyphenyl)ethyl]{[1-(2-phenylethyl)-1H-tetrazol-5-yl]methyl}amino)methyl]-6,7-dimethoxy-2(1H)-quinolinone [ACD/IUPAC Name]

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

ASN 05298847 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 806.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.3±3.0 kJ/mol
Flash Point: 441.7±34.3 °C
Index of Refraction: 1.620
Molar Refractivity: 163.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 5.15
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 323.70
ACD/KOC (pH 5.5): 2130.05
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 349.99
ACD/KOC (pH 7.4): 2303.04
Polar Surface Area: 113 Å2
Polarizability: 64.7±0.5 10-24cm3
Surface Tension: 47.0±7.0 dyne/cm
Molar Volume: 464.3±7.0 cm3

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