ChemSpider 2D Image | 3-{[(2-Furylmethyl)(4-methoxybenzyl)amino][1-(2-phenylethyl)-1H-tetrazol-5-yl]methyl}-6,7-dimethyl-2(1H)-quinolinone | C34H34N6O3

3-{[(2-Furylmethyl)(4-methoxybenzyl)amino][1-(2-phenylethyl)-1H-tetrazol-5-yl]methyl}-6,7-dimethyl-2(1H)-quinolinone

  • Molecular FormulaC34H34N6O3
  • Average mass574.672 Da
  • Monoisotopic mass574.269226 Da
  • ChemSpider ID2446846

More details:

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

2(1H)-Quinolinone, 3-[[(2-furanylmethyl)[(4-methoxyphenyl)methyl]amino][1-(2-phenylethyl)-1H-tetrazol-5-yl]methyl]-6,7-dimethyl- [ACD/Index Name]
3-{[(2-Furylmethyl)(4-methoxybenzyl)amino][1-(2-phenylethyl)-1H-tetrazol-5-yl]methyl}-6,7-dimethyl-2(1H)-chinolinon [German] [ACD/IUPAC Name]
3-{[(2-Furylméthyl)(4-méthoxybenzyl)amino][1-(2-phényléthyl)-1H-tétrazol-5-yl]méthyl}-6,7-diméthyl-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
3-{[(2-Furylmethyl)(4-methoxybenzyl)amino][1-(2-phenylethyl)-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 05213857 [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: 781.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.7±3.0 kJ/mol
Flash Point: 426.3±32.9 °C
Index of Refraction: 1.654
Molar Refractivity: 167.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.69
ACD/LogD (pH 5.5): 5.56
ACD/BCF (pH 5.5): 9855.17
ACD/KOC (pH 5.5): 25119.50
ACD/LogD (pH 7.4): 5.56
ACD/BCF (pH 7.4): 9872.59
ACD/KOC (pH 7.4): 25163.92
Polar Surface Area: 98 Å2
Polarizability: 66.3±0.5 10-24cm3
Surface Tension: 49.2±7.0 dyne/cm
Molar Volume: 455.9±7.0 cm3

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