ChemSpider 2D Image | 3-{[(1,3-Benzodioxol-5-ylmethyl){1-[1-(2-methyl-2-propanyl)-1H-tetrazol-5-yl]propyl}amino]methyl}-5,8-dimethyl-2(1H)-quinolinone | C28H34N6O3

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

  • Molecular FormulaC28H34N6O3
  • Average mass502.608 Da
  • Monoisotopic mass502.269226 Da
  • ChemSpider ID2451177

More details:

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

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

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

ASN 05301036 [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: 693.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 372.9±31.5 °C
Index of Refraction: 1.647
Molar Refractivity: 142.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.89
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 715.42
ACD/KOC (pH 5.5): 3798.45
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 746.30
ACD/KOC (pH 7.4): 3962.37
Polar Surface Area: 94 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 46.8±7.0 dyne/cm
Molar Volume: 391.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement