ChemSpider 2D Image | 3-[([2-(3,4-Dimethoxyphenyl)ethyl]{1-[1-(2-methyl-2-butanyl)-1H-tetrazol-5-yl]propyl}amino)methyl]-6,8-dimethyl-2(1H)-quinolinone | C31H42N6O3

3-[([2-(3,4-Dimethoxyphenyl)ethyl]{1-[1-(2-methyl-2-butanyl)-1H-tetrazol-5-yl]propyl}amino)methyl]-6,8-dimethyl-2(1H)-quinolinone

  • Molecular FormulaC31H42N6O3
  • Average mass546.704 Da
  • Monoisotopic mass546.331848 Da
  • ChemSpider ID2452357

More details:

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

2(1H)-Quinolinone, 3-[[[2-(3,4-dimethoxyphenyl)ethyl][1-[1-(1,1-dimethylpropyl)-1H-tetrazol-5-yl]propyl]amino]methyl]-6,8-dimethyl- [ACD/Index Name]
3-[([2-(3,4-Dimethoxyphenyl)ethyl]{1-[1-(2-methyl-2-butanyl)-1H-tetrazol-5-yl]propyl}amino)methyl]-6,8-dimethyl-2(1H)-chinolinon [German] [ACD/IUPAC Name]
3-[([2-(3,4-Diméthoxyphényl)éthyl]{1-[1-(2-méthyl-2-butanyl)-1H-tétrazol-5-yl]propyl}amino)méthyl]-6,8-diméthyl-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
3-[([2-(3,4-Dimethoxyphenyl)ethyl]{1-[1-(2-methyl-2-butanyl)-1H-tetrazol-5-yl]propyl}amino)methyl]-6,8-dimethyl-2(1H)-quinolinone [ACD/IUPAC Name]

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

ASN 05305433 [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: 724.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 105.8±3.0 kJ/mol
Flash Point: 392.0±32.9 °C
Index of Refraction: 1.594
Molar Refractivity: 158.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.31
ACD/LogD (pH 5.5): 5.17
ACD/BCF (pH 5.5): 4846.85
ACD/KOC (pH 5.5): 14657.92
ACD/LogD (pH 7.4): 5.21
ACD/BCF (pH 7.4): 5401.90
ACD/KOC (pH 7.4): 16336.50
Polar Surface Area: 94 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 40.9±7.0 dyne/cm
Molar Volume: 465.9±7.0 cm3

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