ChemSpider 2D Image | 3-({(1,3-Benzodioxol-5-ylmethyl)[1-(1-cyclohexyl-1H-tetrazol-5-yl)propyl]amino}methyl)-6,7-dimethyl-2(1H)-quinolinone | C30H36N6O3

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

  • Molecular FormulaC30H36N6O3
  • Average mass528.645 Da
  • Monoisotopic mass528.284912 Da
  • ChemSpider ID2450865

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)propyl]amino]methyl]-6,7-dimethyl- [ACD/Index Name]
3-({(1,3-Benzodioxol-5-ylmethyl)[1-(1-cyclohexyl-1H-tetrazol-5-yl)propyl]amino}methyl)-6,7-dimethyl-2(1H)-chinolinon [German] [ACD/IUPAC Name]
3-({(1,3-Benzodioxol-5-ylméthyl)[1-(1-cyclohexyl-1H-tétrazol-5-yl)propyl]amino}méthyl)-6,7-diméthyl-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
3-({(1,3-Benzodioxol-5-ylmethyl)[1-(1-cyclohexyl-1H-tetrazol-5-yl)propyl]amino}methyl)-6,7-dimethyl-2(1H)-quinolinone [ACD/IUPAC Name]

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

ASN 05300433 [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: 740.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.0±3.0 kJ/mol
Flash Point: 401.5±32.9 °C
Index of Refraction: 1.684
Molar Refractivity: 148.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.72
ACD/LogD (pH 5.5): 4.93
ACD/BCF (pH 5.5): 3283.42
ACD/KOC (pH 5.5): 11328.17
ACD/LogD (pH 7.4): 4.95
ACD/BCF (pH 7.4): 3401.31
ACD/KOC (pH 7.4): 11734.93
Polar Surface Area: 94 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 52.1±7.0 dyne/cm
Molar Volume: 391.8±7.0 cm3

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