Found 10 results

Search term: QUIJNHUBAXPXFS (Found by InChIKey (skeleton match))

ChemSpider 2D Image | (1S,2R)-1-(6-Bromo-2-methoxy-3-quinolinyl)-4-(dimethylamino)-2-(1-naphthyl)-1-phenyl-2-butanol | C32H31BrN2O2

(1S,2R)-1-(6-Bromo-2-methoxy-3-quinolinyl)-4-(dimethylamino)-2-(1-naphthyl)-1-phenyl-2-butanol

  • Molecular FormulaC32H31BrN2O2
  • Average mass555.505 Da
  • Monoisotopic mass554.156860 Da
  • ChemSpider ID9653292
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1S,2R)-1-(6-Brom-2-methoxy-3-chinolinyl)-4-(dimethylamino)-2-(1-naphthyl)-1-phenyl-2-butanol [German] [ACD/IUPAC Name]
(1S,2R)-1-(6-Bromo-2-méthoxy-3-quinoléinyl)-4-(diméthylamino)-2-(1-naphtyl)-1-phényl-2-butanol [French] [ACD/IUPAC Name]
(1S,2R)-1-(6-Bromo-2-methoxy-3-quinolinyl)-4-(dimethylamino)-2-(1-naphthyl)-1-phenyl-2-butanol [ACD/IUPAC Name]
3-Quinolineethanol, 6-bromo-α-[2-(dimethylamino)ethyl]-2-methoxy-α-1-naphthalenyl-β-phenyl-, (αR,βS)- [ACD/Index Name]
(1S,2R)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-(naphthalen-1-yl)-1-phenylbutan-2-ol
(1S,2R)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol
(1S,2R)-1-(6-Bromo-2-methoxy-quinolin-3-yl)-4-methyl-amino-2-naphthalen-1-yl-1-phenyl-butan-2-ol
10.1038/nchembio884
654653-93-7 [RN]
843663-66-1 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 702.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.0±3.0 kJ/mol
Flash Point: 378.8±32.9 °C
Index of Refraction: 1.666
Molar Refractivity: 156.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.59
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 111.89
ACD/KOC (pH 5.5): 149.16
ACD/LogD (pH 7.4): 5.32
ACD/BCF (pH 7.4): 2793.35
ACD/KOC (pH 7.4): 3723.64
Polar Surface Area: 46 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 420.1±3.0 cm3

Click to predict properties on the Chemicalize site






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