ChemSpider 2D Image | 6-Methyl-3-{[1-(2-methyl-2-propanyl)-1H-tetrazol-5-yl][(2-phenylethyl)(2-thienylmethyl)amino]methyl}-2(1H)-quinolinone | C29H32N6OS

6-Methyl-3-{[1-(2-methyl-2-propanyl)-1H-tetrazol-5-yl][(2-phenylethyl)(2-thienylmethyl)amino]methyl}-2(1H)-quinolinone

  • Molecular FormulaC29H32N6OS
  • Average mass512.669 Da
  • Monoisotopic mass512.235840 Da
  • ChemSpider ID2402067

More details:

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

2(1H)-Quinolinone, 3-[[1-(1,1-dimethylethyl)-1H-tetrazol-5-yl][(2-phenylethyl)(2-thienylmethyl)amino]methyl]-6-methyl- [ACD/Index Name]
6-Methyl-3-{[1-(2-methyl-2-propanyl)-1H-tetrazol-5-yl][(2-phenylethyl)(2-thienylmethyl)amino]methyl}-2(1H)-chinolinon [German] [ACD/IUPAC Name]
6-Méthyl-3-{[1-(2-méthyl-2-propanyl)-1H-tétrazol-5-yl][(2-phényléthyl)(2-thiénylméthyl)amino]méthyl}-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
6-Methyl-3-{[1-(2-methyl-2-propanyl)-1H-tetrazol-5-yl][(2-phenylethyl)(2-thienylmethyl)amino]methyl}-2(1H)-quinolinone [ACD/IUPAC Name]

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

BAS 04417800 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 720.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.2±3.0 kJ/mol
Flash Point: 389.2±32.9 °C
Index of Refraction: 1.663
Molar Refractivity: 152.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.96
ACD/LogD (pH 5.5): 5.57
ACD/BCF (pH 5.5): 10059.88
ACD/KOC (pH 5.5): 25433.27
ACD/LogD (pH 7.4): 5.57
ACD/BCF (pH 7.4): 10158.60
ACD/KOC (pH 7.4): 25682.88
Polar Surface Area: 104 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 49.3±7.0 dyne/cm
Molar Volume: 410.3±7.0 cm3

Click to predict properties on the Chemicalize site


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