ChemSpider 2D Image | 1-[(2R)-4-Acetyl-2-{[(3S)-3-hydroxy-1-pyrrolidinyl]methyl}-1-piperazinyl]-2-(3,4-dichlorophenyl)ethanone | C19H25Cl2N3O3

1-[(2R)-4-Acetyl-2-{[(3S)-3-hydroxy-1-pyrrolidinyl]methyl}-1-piperazinyl]-2-(3,4-dichlorophenyl)ethanone

  • Molecular FormulaC19H25Cl2N3O3
  • Average mass414.326 Da
  • Monoisotopic mass413.127289 Da
  • ChemSpider ID23162373

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-[(2R)-4-Acetyl-2-{[(3S)-3-hydroxy-1-pyrrolidinyl]methyl}-1-piperazinyl]-2-(3,4-dichlorophenyl)ethanone [ACD/IUPAC Name]
1-[(2R)-4-Acétyl-2-{[(3S)-3-hydroxy-1-pyrrolidinyl]méthyl}-1-pipérazinyl]-2-(3,4-dichlorophényl)éthanone [French] [ACD/IUPAC Name]
1-[(2R)-4-Acetyl-2-{[(3S)-3-hydroxy-1-pyrrolidinyl]methyl}-1-piperazinyl]-2-(3,4-dichlorphenyl)ethanon [German] [ACD/IUPAC Name]
1-[(2R)-4-acetyl-2-{[(3S)-3-hydroxypyrrolidin-1-yl]methyl}piperazin-1-yl]-2-(3,4-dichlorophenyl)ethanone
Ethanone, 1-[(2R)-4-acetyl-2-[[(3S)-3-hydroxy-1-pyrrolidinyl]methyl]-1-piperazinyl]-2-(3,4-dichlorophenyl)- [ACD/Index Name]
(SS)- 1-[4-Acetyl-2-(3-hydroxy-pyrrolidin-1-ylmethyl)-piperazin-1-yl]-2-(3,4-dichloro-phenyl)-ethanone (GR 94839)

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

Density: 1.4±0.1 g/cm3
Boiling Point: 635.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 338.3±31.5 °C
Index of Refraction: 1.599
Molar Refractivity: 104.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.09
ACD/LogD (pH 5.5): -0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.92
ACD/BCF (pH 7.4): 2.21
ACD/KOC (pH 7.4): 43.71
Polar Surface Area: 64 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 57.3±3.0 dyne/cm
Molar Volume: 306.1±3.0 cm3

Click to predict properties on the Chemicalize site


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