ChemSpider 2D Image | Methyl 4-[(3,4-dichlorophenyl)acetyl]-3-[(3-oxo-1-pyrrolidinyl)methyl]-1-piperazinecarboxylate | C19H23Cl2N3O4

Methyl 4-[(3,4-dichlorophenyl)acetyl]-3-[(3-oxo-1-pyrrolidinyl)methyl]-1-piperazinecarboxylate

  • Molecular FormulaC19H23Cl2N3O4
  • Average mass428.310 Da
  • Monoisotopic mass427.106567 Da
  • ChemSpider ID23156563

More details:

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

1-Piperazinecarboxylic acid, 4-[2-(3,4-dichlorophenyl)acetyl]-3-[(3-oxo-1-pyrrolidinyl)methyl]-, methyl ester [ACD/Index Name]
4-[2-(3,4-Dichlorophényl)acétyl]-3-[(3-oxo-1-pyrrolidinyl)méthyl]-1-pipérazinecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-[(3,4-dichlorophenyl)acetyl]-3-[(3-oxo-1-pyrrolidinyl)methyl]-1-piperazinecarboxylate [ACD/IUPAC Name]
methyl 4-[(3,4-dichlorophenyl)acetyl]-3-[(3-oxopyrrolidin-1-yl)methyl]piperazine-1-carboxylate
Methyl-4-[(3,4-dichlorphenyl)acetyl]-3-[(3-oxo-1-pyrrolidinyl)methyl]-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-[2-(3,4-Dichloro-phenyl)-acetyl]-3-(3-oxo-pyrrolidin-1-ylmethyl)-piperazine-1-carboxylic acid methyl ester

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

Density: 1.4±0.1 g/cm3
Boiling Point: 604.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.9±3.0 kJ/mol
Flash Point: 319.5±31.5 °C
Index of Refraction: 1.587
Molar Refractivity: 104.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.39
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 2.36
ACD/KOC (pH 5.5): 26.13
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 43.39
ACD/KOC (pH 7.4): 480.91
Polar Surface Area: 70 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 311.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement