ChemSpider 2D Image | 3-({(1,3-Benzodioxol-5-ylmethyl)[1-(1-cyclohexyl-1H-tetrazol-5-yl)propyl]amino}methyl)-7-methyl-2(1H)-quinolinone | C29H34N6O3

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

  • Molecular FormulaC29H34N6O3
  • Average mass514.619 Da
  • Monoisotopic mass514.269226 Da
  • ChemSpider ID2450405

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

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

ASN 05299353 [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: 732.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 397.0±32.9 °C
Index of Refraction: 1.692
Molar Refractivity: 144.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.26
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1139.91
ACD/KOC (pH 5.5): 5313.06
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1180.29
ACD/KOC (pH 7.4): 5501.28
Polar Surface Area: 94 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 54.1±7.0 dyne/cm
Molar Volume: 376.6±7.0 cm3

Click to predict properties on the Chemicalize site


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