Found 2 results

Search term: WXAKYLNYSPPWBI (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-[(Benzyl{(1S)-2-methyl-1-[1-(2-methyl-2-butanyl)-1H-tetrazol-5-yl]propyl}amino)methyl]-7-methyl-2-quinolinol | C28H36N6O

3-[(Benzyl{(1S)-2-methyl-1-[1-(2-methyl-2-butanyl)-1H-tetrazol-5-yl]propyl}amino)methyl]-7-methyl-2-quinolinol

  • Molecular FormulaC28H36N6O
  • Average mass472.625 Da
  • Monoisotopic mass472.295074 Da
  • ChemSpider ID62645658

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2(1H)-Quinolinone, 3-[[[(1S)-1-[1-(1,1-dimethylpropyl)-1H-tetrazol-5-yl]-2-methylpropyl](phenylmethyl)amino]methyl]-7-methyl- [ACD/Index Name]
2-Quinolinol, 3-[[[(1S)-1-[1-(1,1-dimethylpropyl)-1H-tetrazol-5-yl]-2-methylpropyl](phenylmethyl)amino]methyl]-7-methyl- [ACD/Index Name]
3-[(Benzyl{(1S)-2-methyl-1-[1-(2-methyl-2-butanyl)-1H-tetrazol-5-yl]propyl}amino)methyl]-7-methyl-2(1H)-chinolinon [German] [ACD/IUPAC Name]
3-[(Benzyl{(1S)-2-méthyl-1-[1-(2-méthyl-2-butanyl)-1H-tétrazol-5-yl]propyl}amino)méthyl]-7-méthyl-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
3-[(Benzyl{(1S)-2-methyl-1-[1-(2-methyl-2-butanyl)-1H-tetrazol-5-yl]propyl}amino)methyl]-7-methyl-2(1H)-quinolinone [ACD/IUPAC Name]
3-[(Benzyl{(1S)-2-methyl-1-[1-(2-methyl-2-butanyl)-1H-tetrazol-5-yl]propyl}amino)methyl]-7-methyl-2-chinolinol [German] [ACD/IUPAC Name]
3-[(Benzyl{(1S)-2-méthyl-1-[1-(2-méthyl-2-butanyl)-1H-tétrazol-5-yl]propyl}amino)méthyl]-7-méthyl-2-quinoléinol [French] [ACD/IUPAC Name]
3-[(Benzyl{(1S)-2-methyl-1-[1-(2-methyl-2-butanyl)-1H-tetrazol-5-yl]propyl}amino)methyl]-7-methyl-2-quinolinol [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 662.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.9±3.0 kJ/mol
Flash Point: 354.2±31.5 °C
Index of Refraction: 1.614
Molar Refractivity: 141.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.42
ACD/LogD (pH 5.5): 5.29
ACD/BCF (pH 5.5): 6156.86
ACD/KOC (pH 5.5): 17759.48
ACD/LogD (pH 7.4): 5.30
ACD/BCF (pH 7.4): 6194.63
ACD/KOC (pH 7.4): 17868.42
Polar Surface Area: 80 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 42.6±7.0 dyne/cm
Molar Volume: 406.6±7.0 cm3

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