ChemSpider 2D Image | 3-{[4-(2,5-Dimethylphenyl)-1-piperazinyl][1-(2-furylmethyl)-1H-tetrazol-5-yl]methyl}-5,8-dimethyl-2(1H)-quinolinone | C30H33N7O2

3-{[4-(2,5-Dimethylphenyl)-1-piperazinyl][1-(2-furylmethyl)-1H-tetrazol-5-yl]methyl}-5,8-dimethyl-2(1H)-quinolinone

  • Molecular FormulaC30H33N7O2
  • Average mass523.629 Da
  • Monoisotopic mass523.269592 Da
  • ChemSpider ID2446912

More details:

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

2(1H)-Quinolinone, 3-[[4-(2,5-dimethylphenyl)-1-piperazinyl][1-(2-furanylmethyl)-1H-tetrazol-5-yl]methyl]-5,8-dimethyl- [ACD/Index Name]
3-{[4-(2,5-Dimethylphenyl)-1-piperazinyl][1-(2-furylmethyl)-1H-tetrazol-5-yl]methyl}-5,8-dimethyl-2(1H)-chinolinon [German] [ACD/IUPAC Name]
3-{[4-(2,5-Diméthylphényl)-1-pipérazinyl][1-(2-furylméthyl)-1H-tétrazol-5-yl]méthyl}-5,8-diméthyl-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
3-{[4-(2,5-Dimethylphenyl)-1-piperazinyl][1-(2-furylmethyl)-1H-tetrazol-5-yl]methyl}-5,8-dimethyl-2(1H)-quinolinone [ACD/IUPAC Name]

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

ASN 05213934 [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: 766.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.6±3.0 kJ/mol
Flash Point: 417.5±32.9 °C
Index of Refraction: 1.690
Molar Refractivity: 151.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.04
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 110.96
ACD/KOC (pH 5.5): 451.14
ACD/LogD (pH 7.4): 4.53
ACD/BCF (pH 7.4): 1571.68
ACD/KOC (pH 7.4): 6389.93
Polar Surface Area: 92 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 51.8±7.0 dyne/cm
Molar Volume: 395.2±7.0 cm3

Click to predict properties on the Chemicalize site


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