ChemSpider 2D Image | 2-(2,6-Dichlorophenyl)-1-[(1S,3R)-3-(hydroxymethyl)-5-(3-hydroxy-3-methylbutyl)-1-methyl-3,4-dihydro-2(1H)-isoquinolinyl]ethanone | C24H29Cl2NO3

2-(2,6-Dichlorophenyl)-1-[(1S,3R)-3-(hydroxymethyl)-5-(3-hydroxy-3-methylbutyl)-1-methyl-3,4-dihydro-2(1H)-isoquinolinyl]ethanone

  • Molecular FormulaC24H29Cl2NO3
  • Average mass450.398 Da
  • Monoisotopic mass449.152435 Da
  • ChemSpider ID58985571

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-(2,6-Dichlorophényl)-1-[(1S,3R)-3-(hydroxyméthyl)-5-(3-hydroxy-3-méthylbutyl)-1-méthyl-3,4-dihydro-2(1H)-isoquinoléinyl]éthanone [French] [ACD/IUPAC Name]
2-(2,6-Dichlorophenyl)-1-[(1S,3R)-3-(hydroxymethyl)-5-(3-hydroxy-3-methylbutyl)-1-methyl-3,4-dihydro-2(1H)-isoquinolinyl]ethanone [ACD/IUPAC Name]
2-(2,6-Dichlorphenyl)-1-[(1S,3R)-3-(hydroxymethyl)-5-(3-hydroxy-3-methylbutyl)-1-methyl-3,4-dihydro-2(1H)-isochinolinyl]ethanon [German] [ACD/IUPAC Name]
Ethanone, 2-(2,6-dichlorophenyl)-1-[(1S,3R)-3,4-dihydro-3-(hydroxymethyl)-5-(3-hydroxy-3-methylbutyl)-1-methyl-2(1H)-isoquinolinyl]- [ACD/Index Name]
1638667-79-4 [RN]
1638667-79-4 (free base)
2-(2,6-dichlorophenyl)-1-[(1S,3R)-3-(hydroxymethyl)-5-(3-hydroxy-3-methylbutyl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
LY3154207
Mevidalen

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

Density: 1.2±0.1 g/cm3
Boiling Point: 628.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.7±3.0 kJ/mol
Flash Point: 333.9±31.5 °C
Index of Refraction: 1.586
Molar Refractivity: 121.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.83
ACD/LogD (pH 5.5): 4.68
ACD/BCF (pH 5.5): 2108.36
ACD/KOC (pH 5.5): 8334.44
ACD/LogD (pH 7.4): 4.68
ACD/BCF (pH 7.4): 2108.36
ACD/KOC (pH 7.4): 8334.44
Polar Surface Area: 61 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 361.6±3.0 cm3

Click to predict properties on the Chemicalize site


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