ChemSpider 2D Image | (6R)-6-({[1-(3-Hydroxypropyl)-1,2,3,4-tetrahydro-7-quinolinyl]oxy}methyl)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)-2-piperazinone | C34H43N3O6

(6R)-6-({[1-(3-Hydroxypropyl)-1,2,3,4-tetrahydro-7-quinolinyl]oxy}methyl)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)-2-piperazinone

  • Molecular FormulaC34H43N3O6
  • Average mass589.722 Da
  • Monoisotopic mass589.315186 Da
  • ChemSpider ID21395297

More details:

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

(6R)-6-({[1-(3-Hydroxypropyl)-1,2,3,4-tetrahydro-7-chinolinyl]oxy}methyl)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)-2-piperazinon [German] [ACD/IUPAC Name]
(6R)-6-({[1-(3-Hydroxypropyl)-1,2,3,4-tétrahydro-7-quinoléinyl]oxy}méthyl)-1-(4-{3-[(2-méthoxybenzyl)oxy]propoxy}phényl)-2-pipérazinone [French] [ACD/IUPAC Name]
(6R)-6-({[1-(3-Hydroxypropyl)-1,2,3,4-tetrahydro-7-quinolinyl]oxy}methyl)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)-2-piperazinone [ACD/IUPAC Name]
(6R)-6-({[1-(3-hydroxypropyl)-1,2,3,4-tetrahydroquinolin-7-yl]oxy}methyl)-1-(4-{3-[(2-methoxybenzyl)oxy]propoxy}phenyl)piperazin-2-one
2-Piperazinone, 1-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-6-[[[1,2,3,4-tetrahydro-1-(3-hydroxypropyl)-7-quinolinyl]oxy]methyl]-, (6R)- [ACD/Index Name]
(R)-1-(4-(3-(2-methoxybenzyloxy)propoxy)phenyl)-6-((1-(3-hydroxypropyl)-1,2,3,4-tetrahydroquinolin-7-yloxy)methyl)piperazin-2-one
(R)-6-[1-(3-Hydroxy-propyl)-1,2,3,4-tetrahydro-quinolin-7-yloxymethyl]-1-{4-[3-(2-methoxy-benzyloxy)-propoxy]-phenyl}-piperazin-2-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL372416/
Ketopiperazine-based inhibitor, 9

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

Density: 1.2±0.1 g/cm3
Boiling Point: 817.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.5±3.0 kJ/mol
Flash Point: 447.9±34.3 °C
Index of Refraction: 1.580
Molar Refractivity: 165.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 40.26
ACD/KOC (pH 5.5): 247.08
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 415.53
ACD/KOC (pH 7.4): 2549.84
Polar Surface Area: 93 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 47.8±3.0 dyne/cm
Molar Volume: 497.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement