ChemSpider 2D Image | 3-{[(2-Furylmethyl)(3-pyridinylmethyl)amino][1-(tetrahydro-2-furanylmethyl)-1H-tetrazol-5-yl]methyl}-6,8-dimethyl-2(1H)-quinolinone | C29H31N7O3

3-{[(2-Furylmethyl)(3-pyridinylmethyl)amino][1-(tetrahydro-2-furanylmethyl)-1H-tetrazol-5-yl]methyl}-6,8-dimethyl-2(1H)-quinolinone

  • Molecular FormulaC29H31N7O3
  • Average mass525.602 Da
  • Monoisotopic mass525.248840 Da
  • ChemSpider ID2438584

More details:

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

2(1H)-Quinolinone, 3-[[(2-furanylmethyl)(3-pyridinylmethyl)amino][1-[(tetrahydro-2-furanyl)methyl]-1H-tetrazol-5-yl]methyl]-6,8-dimethyl- [ACD/Index Name]
3-{[(2-Furylmethyl)(3-pyridinylmethyl)amino][1-(tetrahydro-2-furanylmethyl)-1H-tetrazol-5-yl]methyl}-6,8-dimethyl-2(1H)-chinolinon [German] [ACD/IUPAC Name]
3-{[(2-Furylméthyl)(3-pyridinylméthyl)amino][1-(tétrahydro-2-furanylméthyl)-1H-tétrazol-5-yl]méthyl}-6,8-diméthyl-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
3-{[(2-Furylmethyl)(3-pyridinylmethyl)amino][1-(tetrahydro-2-furanylmethyl)-1H-tetrazol-5-yl]methyl}-6,8-dimethyl-2(1H)-quinolinone [ACD/IUPAC Name]

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

ASN 04420051 [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: 753.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.7±3.0 kJ/mol
Flash Point: 409.2±32.9 °C
Index of Refraction: 1.700
Molar Refractivity: 147.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 128.69
ACD/KOC (pH 5.5): 1088.92
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 144.64
ACD/KOC (pH 7.4): 1223.81
Polar Surface Area: 111 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 55.6±7.0 dyne/cm
Molar Volume: 381.3±7.0 cm3

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