Found 1 result

Search term: WBVSHKCZLDSJBP-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | {2-Amino-4-[(4-phenyl-1-piperazinyl)methyl]-3-thienyl}(4-chlorophenyl)methanone | C22H22ClN3OS

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

  • Molecular FormulaC22H22ClN3OS
  • Average mass411.948 Da
  • Monoisotopic mass411.117218 Da
  • ChemSpider ID23344288

More details:

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

{2-Amino-4-[(4-phenyl-1-piperazinyl)methyl]-3-thienyl}(4-chlorophenyl)methanone [ACD/IUPAC Name]
{2-Amino-4-[(4-phényl-1-pipérazinyl)méthyl]-3-thiényl}(4-chlorophényl)méthanone [French] [ACD/IUPAC Name]
{2-Amino-4-[(4-phenyl-1-piperazinyl)methyl]-3-thienyl}(4-chlorphenyl)methanon [German] [ACD/IUPAC Name]
Methanone, [2-amino-4-[(4-phenyl-1-piperazinyl)methyl]-3-thienyl](4-chlorophenyl)- [ACD/Index Name]
(2-amino-4-((4-phenylpiperazin-1-yl)methyl)thiophen-3-yl)(4-chlorophenyl)methanone
{2-amino-4-[(4-phenylpiperazin-1-yl)methyl]thiophen-3-yl}(4-chlorophenyl)methanone
CHEMBL516806
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL516806/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 630.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 335.0±31.5 °C
Index of Refraction: 1.667
Molar Refractivity: 116.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.65
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 285.58
ACD/KOC (pH 5.5): 1224.27
ACD/LogD (pH 7.4): 4.49
ACD/BCF (pH 7.4): 1498.14
ACD/KOC (pH 7.4): 6422.59
Polar Surface Area: 78 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 59.3±3.0 dyne/cm
Molar Volume: 312.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement