Found 2 results

Search term: OLXNPKPZXZBEFM (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 6-Ethyl-3-{(S)-[(2-furylmethyl)(3-pyridinylmethyl)amino][1-(2-methyl-2-butanyl)-1H-tetrazol-5-yl]methyl}-2-quinolinol | C29H33N7O2

6-Ethyl-3-{(S)-[(2-furylmethyl)(3-pyridinylmethyl)amino][1-(2-methyl-2-butanyl)-1H-tetrazol-5-yl]methyl}-2-quinolinol

  • Molecular FormulaC29H33N7O2
  • Average mass511.618 Da
  • Monoisotopic mass511.269562 Da
  • ChemSpider ID62557511

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2(1H)-Quinolinone, 3-[(S)-[1-(1,1-dimethylpropyl)-1H-tetrazol-5-yl][(2-furanylmethyl)(3-pyridinylmethyl)amino]methyl]-6-ethyl- [ACD/Index Name]
2-Quinolinol, 3-[(S)-[1-(1,1-dimethylpropyl)-1H-tetrazol-5-yl][(2-furanylmethyl)(3-pyridinylmethyl)amino]methyl]-6-ethyl- [ACD/Index Name]
6-Ethyl-3-{(S)-[(2-furylmethyl)(3-pyridinylmethyl)amino][1-(2-methyl-2-butanyl)-1H-tetrazol-5-yl]methyl}-2(1H)-chinolinon [German] [ACD/IUPAC Name]
6-Éthyl-3-{(S)-[(2-furylméthyl)(3-pyridinylméthyl)amino][1-(2-méthyl-2-butanyl)-1H-tétrazol-5-yl]méthyl}-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
6-Ethyl-3-{(S)-[(2-furylmethyl)(3-pyridinylmethyl)amino][1-(2-methyl-2-butanyl)-1H-tetrazol-5-yl]methyl}-2(1H)-quinolinone [ACD/IUPAC Name]
6-Ethyl-3-{(S)-[(2-furylmethyl)(3-pyridinylmethyl)amino][1-(2-methyl-2-butanyl)-1H-tetrazol-5-yl]methyl}-2-chinolinol [German] [ACD/IUPAC Name]
6-Éthyl-3-{(S)-[(2-furylméthyl)(3-pyridinylméthyl)amino][1-(2-méthyl-2-butanyl)-1H-tétrazol-5-yl]méthyl}-2-quinoléinol [French] [ACD/IUPAC Name]
6-Ethyl-3-{(S)-[(2-furylmethyl)(3-pyridinylmethyl)amino][1-(2-methyl-2-butanyl)-1H-tetrazol-5-yl]methyl}-2-quinolinol [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 725.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.7±3.0 kJ/mol
Flash Point: 392.6±32.9 °C
Index of Refraction: 1.651
Molar Refractivity: 148.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.42
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 1535.55
ACD/KOC (pH 5.5): 6416.94
ACD/LogD (pH 7.4): 4.56
ACD/BCF (pH 7.4): 1703.23
ACD/KOC (pH 7.4): 7117.63
Polar Surface Area: 106 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 49.0±7.0 dyne/cm
Molar Volume: 407.0±7.0 cm3

Click to predict properties on the Chemicalize site


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