ChemSpider 2D Image | 3-{[1-(2-Furylmethyl)-1H-tetrazol-5-yl][4-(4-methoxyphenyl)-1-piperazinyl]methyl}-6,7-dimethyl-2(1H)-quinolinone | C29H31N7O3

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

  • Molecular FormulaC29H31N7O3
  • Average mass525.602 Da
  • Monoisotopic mass525.248840 Da
  • ChemSpider ID2446882

More details:

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

2(1H)-Quinolinone, 3-[[1-(2-furanylmethyl)-1H-tetrazol-5-yl][4-(4-methoxyphenyl)-1-piperazinyl]methyl]-6,7-dimethyl- [ACD/Index Name]
3-{[1-(2-Furylmethyl)-1H-tetrazol-5-yl][4-(4-methoxyphenyl)-1-piperazinyl]methyl}-6,7-dimethyl-2(1H)-chinolinon [German] [ACD/IUPAC Name]
3-{[1-(2-Furylméthyl)-1H-tétrazol-5-yl][4-(4-méthoxyphényl)-1-pipérazinyl]méthyl}-6,7-diméthyl-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
3-{[1-(2-Furylmethyl)-1H-tetrazol-5-yl][4-(4-methoxyphenyl)-1-piperazinyl]methyl}-6,7-dimethyl-2(1H)-quinolinone [ACD/IUPAC Name]

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

ASN 05213898 [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: 788.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.6±3.0 kJ/mol
Flash Point: 430.4±32.9 °C
Index of Refraction: 1.692
Molar Refractivity: 148.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 19.63
ACD/KOC (pH 5.5): 127.39
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 297.72
ACD/KOC (pH 7.4): 1932.43
Polar Surface Area: 102 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 54.1±7.0 dyne/cm
Molar Volume: 386.5±7.0 cm3

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