Found 6 results

Search term: KFXNZXLUGHLDBB (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 6-(4-{1-[(1r)-4-Hydroxy(3,3,4,5,5-~2~H_5_)cyclohexyl]-1H-tetrazol-5-yl}butoxy)-3,4-dihydro-2(1H)-quinolinone | C20H22D5N5O3

6-(4-{1-[(1r)-4-Hydroxy(3,3,4,5,5-2H5)cyclohexyl]-1H-tetrazol-5-yl}butoxy)-3,4-dihydro-2(1H)-quinolinone

  • Molecular FormulaC20H22D5N5O3
  • Average mass390.491 Da
  • Monoisotopic mass390.242767 Da
  • ChemSpider ID115275919

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

2(1H)-Quinolinone, 3,4-dihydro-6-[4-[1-[(1α)-4-hydroxycyclohexyl-3,3,4,5,5-d5]-1H-tetrazol-5-yl]butoxy]- [ACD/Index Name]
6-(4-{1-[(1r)-4-Hydroxy(3,3,4,5,5-2H5)cyclohexyl]-1H-tetrazol-5-yl}butoxy)-3,4-dihydro-2(1H)-chinolinon [German] [ACD/IUPAC Name]
6-(4-{1-[(1r)-4-Hydroxy(3,3,4,5,5-2H5)cyclohexyl]-1H-tétrazol-5-yl}butoxy)-3,4-dihydro-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
6-(4-{1-[(1r)-4-Hydroxy(3,3,4,5,5-2H5)cyclohexyl]-1H-tetrazol-5-yl}butoxy)-3,4-dihydro-2(1H)-quinolinone [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 710.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.1±3.0 kJ/mol
Flash Point: 383.5±32.9 °C
Index of Refraction: 1.692
Molar Refractivity: 103.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.34
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 6.04
ACD/KOC (pH 5.5): 126.12
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 6.05
ACD/KOC (pH 7.4): 126.19
Polar Surface Area: 102 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 59.0±7.0 dyne/cm
Molar Volume: 271.0±7.0 cm3

Click to predict properties on the Chemicalize site


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