Found 1 result

Search term: VLUIIUMESZDQJJ-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | {2-Amino-4-[(4-benzyl-1-piperazinyl)methyl]-3-thienyl}(4-chlorophenyl)methanone | C23H24ClN3OS

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

  • Molecular FormulaC23H24ClN3OS
  • Average mass425.974 Da
  • Monoisotopic mass425.132874 Da
  • ChemSpider ID23344289

More details:

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

{2-Amino-4-[(4-benzyl-1-piperazinyl)methyl]-3-thienyl}(4-chlorophenyl)methanone [ACD/IUPAC Name]
{2-Amino-4-[(4-benzyl-1-pipérazinyl)méthyl]-3-thiényl}(4-chlorophényl)méthanone [French] [ACD/IUPAC Name]
{2-Amino-4-[(4-benzyl-1-piperazinyl)methyl]-3-thienyl}(4-chlorphenyl)methanon [German] [ACD/IUPAC Name]
Methanone, [2-amino-4-[[4-(phenylmethyl)-1-piperazinyl]methyl]-3-thienyl](4-chlorophenyl)- [ACD/Index Name]
(2-amino-4-((4-benzylpiperazin-1-yl)methyl)thiophen-3-yl)(4-chlorophenyl)methanone
{2-amino-4-[(4-benzylpiperazin-1-yl)methyl]thiophen-3-yl}(4-chlorophenyl)methanone
CHEMBL517252
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL517252/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 620.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.9±3.0 kJ/mol
Flash Point: 329.0±31.5 °C
Index of Refraction: 1.663
Molar Refractivity: 121.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.80
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 24.69
ACD/KOC (pH 5.5): 150.03
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 378.38
ACD/KOC (pH 7.4): 2299.46
Polar Surface Area: 78 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 59.5±3.0 dyne/cm
Molar Volume: 327.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement