ChemSpider 2D Image | Ethyl 1-{4-[4-(2-isopropoxyphenyl)-1-piperazinyl]-2-oxobutyl}-5-oxoprolinate | C24H35N3O5

Ethyl 1-{4-[4-(2-isopropoxyphenyl)-1-piperazinyl]-2-oxobutyl}-5-oxoprolinate

  • Molecular FormulaC24H35N3O5
  • Average mass445.552 Da
  • Monoisotopic mass445.257660 Da
  • ChemSpider ID23246781

More details:






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

1-{4-[4-(2-Isopropoxyphényl)-1-pipérazinyl]-2-oxobutyl}-5-oxoprolinate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 1-{4-[4-(2-isopropoxyphenyl)-1-piperazinyl]-2-oxobutyl}-5-oxoprolinate [ACD/IUPAC Name]
ethyl 5-oxo-1-(2-oxo-4-{4-[2-(propan-2-yloxy)phenyl]piperazin-1-yl}butyl)prolinate
Ethyl-1-{4-[4-(2-isopropoxyphenyl)-1-piperazinyl]-2-oxobutyl}-5-oxoprolinat [German] [ACD/IUPAC Name]
Proline, 1-[4-[4-[2-(1-methylethoxy)phenyl]-1-piperazinyl]-2-oxobutyl]-5-oxo-, ethyl ester [ACD/Index Name]
1-{4-[4-(2-Isopropoxy-phenyl)-piperazin-1-yl]-2-oxo-butyl}-5-oxo-pyrrolidine-2-carboxylic acid ethyl ester
CHEMBL180312
RWJ-68141

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

Density: 1.2±0.1 g/cm3
Boiling Point: 615.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.3±3.0 kJ/mol
Flash Point: 325.9±31.5 °C
Index of Refraction: 1.538
Molar Refractivity: 120.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.17
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 13.74
ACD/KOC (pH 7.4): 179.48
Polar Surface Area: 79 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 384.3±3.0 cm3

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