ChemSpider 2D Image | 3-Phenylpropyl {1-[(3,5-dichlorobenzoyl)carbamothioyl]-3-oxo-2-piperazinyl}acetate | C23H23Cl2N3O4S

3-Phenylpropyl {1-[(3,5-dichlorobenzoyl)carbamothioyl]-3-oxo-2-piperazinyl}acetate

  • Molecular FormulaC23H23Cl2N3O4S
  • Average mass508.417 Da
  • Monoisotopic mass507.078644 Da
  • ChemSpider ID12580934

More details:

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

{1-[(3,5-Dichlorobenzoyl)carbamothioyl]-3-oxo-2-pipérazinyl}acétate de 3-phénylpropyle [French] [ACD/IUPAC Name]
2-Piperazineacetic acid, 1-[[(3,5-dichlorobenzoyl)amino]thioxomethyl]-3-oxo-, 3-phenylpropyl ester [ACD/Index Name]
3-Phenylpropyl {1-[(3,5-dichlorobenzoyl)carbamothioyl]-3-oxo-2-piperazinyl}acetate [ACD/IUPAC Name]
3-Phenylpropyl-{1-[(3,5-dichlorbenzoyl)carbamothioyl]-3-oxo-2-piperazinyl}acetat [German] [ACD/IUPAC Name]
3-phenylpropyl (1-{[(3,5-dichlorobenzoyl)amino]carbonothioyl}-3-oxo-2-piperazinyl)acetate

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.614
Molar Refractivity: 129.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 343.05
ACD/KOC (pH 5.5): 2268.19
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 234.79
ACD/KOC (pH 7.4): 1552.43
Polar Surface Area: 120 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 57.6±3.0 dyne/cm
Molar Volume: 372.6±3.0 cm3

Click to predict properties on the Chemicalize site


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