ChemSpider 2D Image | 3-({(1,3-Benzodioxol-5-ylmethyl)[(1-benzyl-1H-tetrazol-5-yl)methyl]amino}methyl)-7,8-dimethyl-2(1H)-quinolinone | C29H28N6O3

3-({(1,3-Benzodioxol-5-ylmethyl)[(1-benzyl-1H-tetrazol-5-yl)methyl]amino}methyl)-7,8-dimethyl-2(1H)-quinolinone

  • Molecular FormulaC29H28N6O3
  • Average mass508.571 Da
  • Monoisotopic mass508.222290 Da
  • ChemSpider ID990797

More details:

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

2(1H)-Quinolinone, 3-[[(1,3-benzodioxol-5-ylmethyl)[[1-(phenylmethyl)-1H-tetrazol-5-yl]methyl]amino]methyl]-7,8-dimethyl- [ACD/Index Name]
3-({(1,3-Benzodioxol-5-ylmethyl)[(1-benzyl-1H-tetrazol-5-yl)methyl]amino}methyl)-7,8-dimethyl-2(1H)-chinolinon [German] [ACD/IUPAC Name]
3-({(1,3-Benzodioxol-5-ylméthyl)[(1-benzyl-1H-tétrazol-5-yl)méthyl]amino}méthyl)-7,8-diméthyl-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
3-({(1,3-Benzodioxol-5-ylmethyl)[(1-benzyl-1H-tetrazol-5-yl)methyl]amino}methyl)-7,8-dimethyl-2(1H)-quinolinone [ACD/IUPAC Name]

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

ASN 04369535 [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: 752.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.7±3.0 kJ/mol
Flash Point: 409.0±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: 5.61
ACD/LogD (pH 5.5): 3.78
ACD/BCF (pH 5.5): 439.09
ACD/KOC (pH 5.5): 2687.46
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 452.62
ACD/KOC (pH 7.4): 2770.26
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


Advertisement