ChemSpider 2D Image | 1-{4-[2-(1-Azepanyl)-2-oxoethyl]-1-piperazinyl}-2-(2,3-dichlorophenoxy)-1-propanone | C21H29Cl2N3O3

1-{4-[2-(1-Azepanyl)-2-oxoethyl]-1-piperazinyl}-2-(2,3-dichlorophenoxy)-1-propanone

  • Molecular FormulaC21H29Cl2N3O3
  • Average mass442.379 Da
  • Monoisotopic mass441.158600 Da
  • ChemSpider ID33407709

More details:

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

1-{4-[2-(1-Azepanyl)-2-oxoethyl]-1-piperazinyl}-2-(2,3-dichlorophenoxy)-1-propanone [ACD/IUPAC Name]
1-{4-[2-(1-Azépanyl)-2-oxoéthyl]-1-pipérazinyl}-2-(2,3-dichlorophénoxy)-1-propanone [French] [ACD/IUPAC Name]
1-{4-[2-(1-Azepanyl)-2-oxoethyl]-1-piperazinyl}-2-(2,3-dichlorphenoxy)-1-propanon [German] [ACD/IUPAC Name]
1-Propanone, 2-(2,3-dichlorophenoxy)-1-[4-[2-(hexahydro-1H-azepin-1-yl)-2-oxoethyl]-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 618.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.7±3.0 kJ/mol
Flash Point: 328.0±31.5 °C
Index of Refraction: 1.561
Molar Refractivity: 113.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.12
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 226.57
ACD/KOC (pH 5.5): 1651.83
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 244.44
ACD/KOC (pH 7.4): 1782.11
Polar Surface Area: 53 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 351.5±3.0 cm3

Click to predict properties on the Chemicalize site


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