ChemSpider 2D Image | Propyl 4-[(3,4-dichlorophenyl)acetyl]-3-(1-pyrrolidinylmethyl)-1-piperazinecarboxylate | C21H29Cl2N3O3

Propyl 4-[(3,4-dichlorophenyl)acetyl]-3-(1-pyrrolidinylmethyl)-1-piperazinecarboxylate

  • Molecular FormulaC21H29Cl2N3O3
  • Average mass442.379 Da
  • Monoisotopic mass441.158600 Da
  • ChemSpider ID23156616

More details:

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

1-Piperazinecarboxylic acid, 4-[2-(3,4-dichlorophenyl)acetyl]-3-(1-pyrrolidinylmethyl)-, propyl ester [ACD/Index Name]
4-[2-(3,4-Dichlorophényl)acétyl]-3-(1-pyrrolidinylméthyl)-1-pipérazinecarboxylate de propyle [French] [ACD/IUPAC Name]
Propyl 4-[(3,4-dichlorophenyl)acetyl]-3-(1-pyrrolidinylmethyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
propyl 4-[(3,4-dichlorophenyl)acetyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate
Propyl-4-[(3,4-dichlorphenyl)acetyl]-3-(1-pyrrolidinylmethyl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-[2-(3,4-Dichloro-phenyl)-acetyl]-3-pyrrolidin-1-ylmethyl-piperazine-1-carboxylic acid propyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL440487/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 578.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.5±3.0 kJ/mol
Flash Point: 303.4±30.1 °C
Index of Refraction: 1.568
Molar Refractivity: 114.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.75
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 1.40
ACD/KOC (pH 5.5): 6.59
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 39.08
ACD/KOC (pH 7.4): 184.23
Polar Surface Area: 53 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 348.5±3.0 cm3

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