ChemSpider 2D Image | 3-{[(2-Furylmethyl)(tetrahydro-2-furanylmethyl)amino][1-(2-methyl-2-butanyl)-1H-tetrazol-5-yl]methyl}-6,7-dimethyl-2(1H)-quinolinone | C28H36N6O3

3-{[(2-Furylmethyl)(tetrahydro-2-furanylmethyl)amino][1-(2-methyl-2-butanyl)-1H-tetrazol-5-yl]methyl}-6,7-dimethyl-2(1H)-quinolinone

  • Molecular FormulaC28H36N6O3
  • Average mass504.624 Da
  • Monoisotopic mass504.284882 Da
  • ChemSpider ID2438830

More details:

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

2(1H)-Quinolinone, 3-[[1-(1,1-dimethylpropyl)-1H-tetrazol-5-yl][(2-furanylmethyl)[(tetrahydro-2-furanyl)methyl]amino]methyl]-6,7-dimethyl- [ACD/Index Name]
3-{[(2-Furylmethyl)(tetrahydro-2-furanylmethyl)amino][1-(2-methyl-2-butanyl)-1H-tetrazol-5-yl]methyl}-6,7-dimethyl-2(1H)-chinolinon [German] [ACD/IUPAC Name]
3-{[(2-Furylméthyl)(tétrahydro-2-furanylméthyl)amino][1-(2-méthyl-2-butanyl)-1H-tétrazol-5-yl]méthyl}-6,7-diméthyl-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
3-{[(2-Furylmethyl)(tetrahydro-2-furanylmethyl)amino][1-(2-methyl-2-butanyl)-1H-tetrazol-5-yl]methyl}-6,7-dimethyl-2(1H)-quinolinone [ACD/IUPAC Name]

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

ASN 04421619 [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: 697.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 375.4±31.5 °C
Index of Refraction: 1.646
Molar Refractivity: 142.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.48
ACD/LogD (pH 5.5): 4.62
ACD/BCF (pH 5.5): 1903.41
ACD/KOC (pH 5.5): 7742.37
ACD/LogD (pH 7.4): 4.62
ACD/BCF (pH 7.4): 1906.32
ACD/KOC (pH 7.4): 7754.21
Polar Surface Area: 98 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 47.7±7.0 dyne/cm
Molar Volume: 391.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement