ChemSpider 2D Image | 6,8-Dimethyl-3-{[{1-[1-(2-phenylethyl)-1H-tetrazol-5-yl]propyl}(2-thienylmethyl)amino]methyl}-2(1H)-quinolinone | C29H32N6OS

6,8-Dimethyl-3-{[{1-[1-(2-phenylethyl)-1H-tetrazol-5-yl]propyl}(2-thienylmethyl)amino]methyl}-2(1H)-quinolinone

  • Molecular FormulaC29H32N6OS
  • Average mass512.669 Da
  • Monoisotopic mass512.235840 Da
  • ChemSpider ID2452239

More details:

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

2(1H)-Quinolinone, 6,8-dimethyl-3-[[[1-[1-(2-phenylethyl)-1H-tetrazol-5-yl]propyl](2-thienylmethyl)amino]methyl]- [ACD/Index Name]
6,8-Dimethyl-3-{[{1-[1-(2-phenylethyl)-1H-tetrazol-5-yl]propyl}(2-thienylmethyl)amino]methyl}-2(1H)-chinolinon [German] [ACD/IUPAC Name]
6,8-Diméthyl-3-{[{1-[1-(2-phényléthyl)-1H-tétrazol-5-yl]propyl}(2-thiénylméthyl)amino]méthyl}-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
6,8-Dimethyl-3-{[{1-[1-(2-phenylethyl)-1H-tetrazol-5-yl]propyl}(2-thienylmethyl)amino]methyl}-2(1H)-quinolinone [ACD/IUPAC Name]

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

ASN 05305243 [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: 728.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.4±3.0 kJ/mol
Flash Point: 394.4±32.9 °C
Index of Refraction: 1.671
Molar Refractivity: 151.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.67
ACD/LogD (pH 5.5): 5.53
ACD/BCF (pH 5.5): 9295.43
ACD/KOC (pH 5.5): 24021.36
ACD/LogD (pH 7.4): 5.53
ACD/BCF (pH 7.4): 9405.33
ACD/KOC (pH 7.4): 24305.36
Polar Surface Area: 104 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 50.2±7.0 dyne/cm
Molar Volume: 405.8±7.0 cm3

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