ChemSpider 2D Image | 3-[([2-(3,4-Dimethoxyphenyl)ethyl]{[1-(tetrahydro-2-furanylmethyl)-1H-tetrazol-5-yl]methyl}amino)methyl]-6,7-dimethoxy-2(1H)-quinolinone | C29H36N6O6

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

  • Molecular FormulaC29H36N6O6
  • Average mass564.633 Da
  • Monoisotopic mass564.269653 Da
  • ChemSpider ID2450217

More details:

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

2(1H)-Quinolinone, 3-[[[2-(3,4-dimethoxyphenyl)ethyl][[1-[(tetrahydro-2-furanyl)methyl]-1H-tetrazol-5-yl]methyl]amino]methyl]-6,7-dimethoxy- [ACD/Index Name]
3-[([2-(3,4-Dimethoxyphenyl)ethyl]{[1-(tetrahydro-2-furanylmethyl)-1H-tetrazol-5-yl]methyl}amino)methyl]-6,7-dimethoxy-2(1H)-chinolinon [German] [ACD/IUPAC Name]
3-[([2-(3,4-Diméthoxyphényl)éthyl]{[1-(tétrahydro-2-furanylméthyl)-1H-tétrazol-5-yl]méthyl}amino)méthyl]-6,7-diméthoxy-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
3-[([2-(3,4-Dimethoxyphenyl)ethyl]{[1-(tetrahydro-2-furanylmethyl)-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 05298729 [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: 790.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.0±3.0 kJ/mol
Flash Point: 431.9±32.9 °C
Index of Refraction: 1.631
Molar Refractivity: 150.6±0.5 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 23.72
ACD/KOC (pH 5.5): 329.15
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 25.35
ACD/KOC (pH 7.4): 351.73
Polar Surface Area: 122 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 49.1±7.0 dyne/cm
Molar Volume: 422.7±7.0 cm3

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