ChemSpider 2D Image | 3-{2-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-2-oxoethyl}-7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one | C25H27ClN2O5

3-{2-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-2-oxoethyl}-7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one

  • Molecular FormulaC25H27ClN2O5
  • Average mass470.945 Da
  • Monoisotopic mass470.160858 Da
  • ChemSpider ID30719286

More details:






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

2H-3-Benzazepin-2-one, 3-[2-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-2-oxoethyl]-1,3-dihydro-7,8-dimethoxy- [ACD/Index Name]
3-{2-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-2-oxoethyl}-7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one [ACD/IUPAC Name]
3-{2-[4-(4-Chlorophényl)-4-hydroxy-1-pipéridinyl]-2-oxoéthyl}-7,8-diméthoxy-1,3-dihydro-2H-3-benzazépin-2-one [French] [ACD/IUPAC Name]
3-{2-[4-(4-Chlorphenyl)-4-hydroxy-1-piperidinyl]-2-oxoethyl}-7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-on [German] [ACD/IUPAC Name]
1574300-95-0 [RN]
3-(2-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-2-oxoethyl)-7,8-dimethoxy-1H-benzo[d]azepin-2(3H)-one
3-[2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl]-7,8-dimethoxy-1H-3-benzazepin-2-one
3-{2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl}-7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one
c25h27cln2o5
MolPort-029-883-207

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 714.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.6±3.0 kJ/mol
Flash Point: 385.7±32.9 °C
Index of Refraction: 1.609
Molar Refractivity: 124.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.92
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 120.39
ACD/KOC (pH 5.5): 1073.76
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 120.39
ACD/KOC (pH 7.4): 1073.76
Polar Surface Area: 79 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 54.4±3.0 dyne/cm
Molar Volume: 359.2±3.0 cm3

Click to predict properties on the Chemicalize site






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