Found 2 results

Search term: QDXRBEGPUKHMQG (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4-(4-{[(3R,4aR,10aR)-6-Methoxy-1-methyl-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-3-yl]carbonyl}-1-piperazinyl)benzoic acid | C27H33N3O4

4-(4-{[(3R,4aR,10aR)-6-Methoxy-1-methyl-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-3-yl]carbonyl}-1-piperazinyl)benzoic acid

  • Molecular FormulaC27H33N3O4
  • Average mass463.569 Da
  • Monoisotopic mass463.247101 Da
  • ChemSpider ID25064393

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

4-(4-{[(3R,4aR,10aR)-6-Methoxy-1-methyl-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]chinolin-3-yl]carbonyl}-1-piperazinyl)benzoesäure [German] [ACD/IUPAC Name]
4-(4-{[(3R,4aR,10aR)-6-Methoxy-1-methyl-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-3-yl]carbonyl}-1-piperazinyl)benzoic acid [ACD/IUPAC Name]
Acide 4-(4-{[(3R,4aR,10aR)-6-méthoxy-1-méthyl-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinoléin-3-yl]carbonyl}-1-pipérazinyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[4-[[(3R,4aR,10aR)-1,2,3,4,4a,5,10,10a-octahydro-6-methoxy-1-methylbenzo[g]quinolin-3-yl]carbonyl]-1-piperazinyl]- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL1206217/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 704.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.3±3.0 kJ/mol
Flash Point: 379.9±32.9 °C
Index of Refraction: 1.605
Molar Refractivity: 129.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.57
ACD/LogD (pH 7.4): 0.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.32
Polar Surface Area: 73 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 51.2±3.0 dyne/cm
Molar Volume: 375.9±3.0 cm3

Click to predict properties on the Chemicalize site


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