ChemSpider 2D Image | 3-{[4-(2,5-Dimethylphenyl)-1-piperazinyl][1-(tetrahydro-2-furanylmethyl)-1H-tetrazol-5-yl]methyl}-6,8-dimethyl-2(1H)-quinolinone | C30H37N7O2

3-{[4-(2,5-Dimethylphenyl)-1-piperazinyl][1-(tetrahydro-2-furanylmethyl)-1H-tetrazol-5-yl]methyl}-6,8-dimethyl-2(1H)-quinolinone

  • Molecular FormulaC30H37N7O2
  • Average mass527.661 Da
  • Monoisotopic mass527.300903 Da
  • ChemSpider ID2434087

More details:

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

2(1H)-Quinolinone, 3-[[4-(2,5-dimethylphenyl)-1-piperazinyl][1-[(tetrahydro-2-furanyl)methyl]-1H-tetrazol-5-yl]methyl]-6,8-dimethyl- [ACD/Index Name]
3-{[4-(2,5-Dimethylphenyl)-1-piperazinyl][1-(tetrahydro-2-furanylmethyl)-1H-tetrazol-5-yl]methyl}-6,8-dimethyl-2(1H)-chinolinon [German] [ACD/IUPAC Name]
3-{[4-(2,5-Diméthylphényl)-1-pipérazinyl][1-(tétrahydro-2-furanylméthyl)-1H-tétrazol-5-yl]méthyl}-6,8-diméthyl-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
3-{[4-(2,5-Dimethylphenyl)-1-piperazinyl][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 04187938 [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: 769.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.0±3.0 kJ/mol
Flash Point: 418.9±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: 5.04
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 47.59
ACD/KOC (pH 5.5): 246.07
ACD/LogD (pH 7.4): 4.05
ACD/BCF (pH 7.4): 674.47
ACD/KOC (pH 7.4): 3487.36
Polar Surface Area: 88 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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