ChemSpider 2D Image | (5S)-5-(3-Bromophenyl)-1-[2-(dimethylamino)ethyl]-4-(2,5-dimethylbenzoyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one | C23H25BrN2O3

(5S)-5-(3-Bromophenyl)-1-[2-(dimethylamino)ethyl]-4-(2,5-dimethylbenzoyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC23H25BrN2O3
  • Average mass457.360 Da
  • Monoisotopic mass456.104858 Da
  • ChemSpider ID62670506

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5S)-5-(3-Bromophenyl)-1-[2-(dimethylamino)ethyl]-4-(2,5-dimethylbenzoyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
(5S)-5-(3-Bromophényl)-1-[2-(diméthylamino)éthyl]-4-(2,5-diméthylbenzoyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
(5S)-5-(3-Bromophenyl)-1-[2-(dimethylammonio)ethyl]-4-(2,5-dimethylbenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-olate [ACD/IUPAC Name]
(5S)-5-(3-Bromophényl)-1-[2-(diméthylammonio)éthyl]-4-(2,5-diméthylbenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-olate [French] [ACD/IUPAC Name]
(5S)-5-(3-Bromphenyl)-1-[2-(dimethylamino)ethyl]-4-(2,5-dimethylbenzoyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
(5S)-5-(3-Bromphenyl)-1-[2-(dimethylammonio)ethyl]-4-(2,5-dimethylbenzoyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-olat [German] [ACD/IUPAC Name]
1H-Pyrrole-1-ethanaminium, 2-(3-bromophenyl)-3-(2,5-dimethylbenzoyl)-2,5-dihydro-4-hydroxy-N,N-dimethyl-5-oxo-, inner salt, (2S)- [ACD/Index Name]
2H-Pyrrol-2-one, 5-(3-bromophenyl)-1-[2-(dimethylamino)ethyl]-4-(2,5-dimethylbenzoyl)-1,5-dihydro-3-hydroxy-, (5S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 611.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 323.6±31.5 °C
Index of Refraction: 1.627
Molar Refractivity: 117.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 1.32
ACD/KOC (pH 5.5): 8.14
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 1.38
ACD/KOC (pH 7.4): 8.50
Polar Surface Area: 61 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 330.3±3.0 cm3

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