ChemSpider 2D Image | 6-Ethyl-3-{[(2-furylmethyl)(3-pyridinylmethyl)amino][1-(tetrahydro-2-furanylmethyl)-1H-tetrazol-5-yl]methyl}-2(1H)-quinolinone | C29H31N7O3

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

  • Molecular FormulaC29H31N7O3
  • Average mass525.602 Da
  • Monoisotopic mass525.248840 Da
  • ChemSpider ID2438275

More details:

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

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

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

ASN 04418131 [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: 764.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.3±3.0 kJ/mol
Flash Point: 416.0±32.9 °C
Index of Refraction: 1.699
Molar Refractivity: 147.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 131.45
ACD/KOC (pH 5.5): 1105.58
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 147.73
ACD/KOC (pH 7.4): 1242.47
Polar Surface Area: 111 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 56.8±7.0 dyne/cm
Molar Volume: 382.1±7.0 cm3

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