ChemSpider 2D Image | 3-{[(2-Furylmethyl)(tetrahydro-2-furanylmethyl)amino][1-(2-methyl-2-propanyl)-1H-tetrazol-5-yl]methyl}-6,7-dimethoxy-2(1H)-quinolinone | C27H34N6O5

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

  • Molecular FormulaC27H34N6O5
  • Average mass522.596 Da
  • Monoisotopic mass522.259094 Da
  • ChemSpider ID2439030

More details:

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

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

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

ASN 04423542 [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: 715.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.5±3.0 kJ/mol
Flash Point: 386.4±32.9 °C
Index of Refraction: 1.642
Molar Refractivity: 140.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 137.79
ACD/KOC (pH 5.5): 1182.01
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 137.55
ACD/KOC (pH 7.4): 1179.96
Polar Surface Area: 117 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 49.3±7.0 dyne/cm
Molar Volume: 388.7±7.0 cm3

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