ChemSpider 2D Image | (2-Amino-4-{[4-(4-chlorophenyl)-1-piperazinyl]methyl}-3-thienyl)(4-chlorophenyl)methanone | C22H21Cl2N3OS

(2-Amino-4-{[4-(4-chlorophenyl)-1-piperazinyl]methyl}-3-thienyl)(4-chlorophenyl)methanone

  • Molecular FormulaC22H21Cl2N3OS
  • Average mass446.393 Da
  • Monoisotopic mass445.078247 Da
  • ChemSpider ID23344291

More details:

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

(2-Amino-4-{[4-(4-chlorophenyl)-1-piperazinyl]methyl}-3-thienyl)(4-chlorophenyl)methanone [ACD/IUPAC Name]
(2-Amino-4-{[4-(4-chlorophényl)-1-pipérazinyl]méthyl}-3-thiényl)(4-chlorophényl)méthanone [French] [ACD/IUPAC Name]
(2-Amino-4-{[4-(4-chlorphenyl)-1-piperazinyl]methyl}-3-thienyl)(4-chlorphenyl)methanon [German] [ACD/IUPAC Name]
Methanone, [2-amino-4-[[4-(4-chlorophenyl)-1-piperazinyl]methyl]-3-thienyl](4-chlorophenyl)- [ACD/Index Name]
(2-amino-4-((4-(4-chlorophenyl)piperazin-1-yl)methyl)thiophen-3-yl)(4-chlorophenyl)methanone
(2-amino-4-{[4-(4-chlorophenyl)piperazin-1-yl]methyl}thiophen-3-yl)(4-chlorophenyl)methanone
CHEMBL460148
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL460148/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 652.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 348.4±31.5 °C
Index of Refraction: 1.670
Molar Refractivity: 121.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.38
ACD/LogD (pH 5.5): 4.58
ACD/BCF (pH 5.5): 1440.14
ACD/KOC (pH 5.5): 4938.46
ACD/LogD (pH 7.4): 4.95
ACD/BCF (pH 7.4): 3415.93
ACD/KOC (pH 7.4): 11713.79
Polar Surface Area: 78 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 60.3±3.0 dyne/cm
Molar Volume: 324.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement