ChemSpider 2D Image | 3-({(1,3-Benzodioxol-5-ylmethyl)[1-(1-cyclohexyl-1H-tetrazol-5-yl)-2-methylpropyl]amino}methyl)-6,7-dimethoxy-2(1H)-quinolinone | C31H38N6O5

3-({(1,3-Benzodioxol-5-ylmethyl)[1-(1-cyclohexyl-1H-tetrazol-5-yl)-2-methylpropyl]amino}methyl)-6,7-dimethoxy-2(1H)-quinolinone

  • Molecular FormulaC31H38N6O5
  • Average mass574.671 Da
  • Monoisotopic mass574.290344 Da
  • ChemSpider ID2454293

More details:

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

2(1H)-Quinolinone, 3-[[(1,3-benzodioxol-5-ylmethyl)[1-(1-cyclohexyl-1H-tetrazol-5-yl)-2-methylpropyl]amino]methyl]-6,7-dimethoxy- [ACD/Index Name]
3-({(1,3-Benzodioxol-5-ylmethyl)[1-(1-cyclohexyl-1H-tetrazol-5-yl)-2-methylpropyl]amino}methyl)-6,7-dimethoxy-2(1H)-chinolinon [German] [ACD/IUPAC Name]
3-({(1,3-Benzodioxol-5-ylméthyl)[1-(1-cyclohexyl-1H-tétrazol-5-yl)-2-méthylpropyl]amino}méthyl)-6,7-diméthoxy-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
3-({(1,3-Benzodioxol-5-ylmethyl)[1-(1-cyclohexyl-1H-tetrazol-5-yl)-2-methylpropyl]amino}methyl)-6,7-dimethoxy-2(1H)-quinolinone [ACD/IUPAC Name]

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

ASN 05379635 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 766.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.6±3.0 kJ/mol
Flash Point: 417.2±32.9 °C
Index of Refraction: 1.665
Molar Refractivity: 155.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 6.35
ACD/LogD (pH 5.5): 4.39
ACD/BCF (pH 5.5): 1281.89
ACD/KOC (pH 5.5): 5799.74
ACD/LogD (pH 7.4): 4.40
ACD/BCF (pH 7.4): 1308.59
ACD/KOC (pH 7.4): 5920.55
Polar Surface Area: 113 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 51.0±7.0 dyne/cm
Molar Volume: 419.8±7.0 cm3

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