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

6-Ethyl-3-{[(2-furylmethyl)(tetrahydro-2-furanylmethyl)amino][1-(2-methyl-2-butanyl)-1H-tetrazol-5-yl]methyl}-2(1H)-quinolinone

  • Molecular FormulaC28H36N6O3
  • Average mass504.624 Da
  • Monoisotopic mass504.284882 Da
  • ChemSpider ID2438296

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-ethyl- [ACD/Index Name]
6-Ethyl-3-{[(2-furylmethyl)(tetrahydro-2-furanylmethyl)amino][1-(2-methyl-2-butanyl)-1H-tetrazol-5-yl]methyl}-2(1H)-chinolinon [German] [ACD/IUPAC Name]
6-Éthyl-3-{[(2-furylméthyl)(tétrahydro-2-furanylméthyl)amino][1-(2-méthyl-2-butanyl)-1H-tétrazol-5-yl]méthyl}-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
6-Ethyl-3-{[(2-furylmethyl)(tetrahydro-2-furanylmethyl)amino][1-(2-methyl-2-butanyl)-1H-tetrazol-5-yl]methyl}-2(1H)-quinolinone [ACD/IUPAC Name]

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

ASN 04418259 [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: 700.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.5±3.0 kJ/mol
Flash Point: 377.4±32.9 °C
Index of Refraction: 1.645
Molar Refractivity: 142.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.55
ACD/LogD (pH 5.5): 4.53
ACD/BCF (pH 5.5): 1638.72
ACD/KOC (pH 5.5): 6955.56
ACD/LogD (pH 7.4): 4.53
ACD/BCF (pH 7.4): 1641.14
ACD/KOC (pH 7.4): 6965.86
Polar Surface Area: 98 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 48.7±7.0 dyne/cm
Molar Volume: 392.7±7.0 cm3

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