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

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

  • Molecular FormulaC23H24ClN3OS
  • Average mass425.974 Da
  • Monoisotopic mass425.132874 Da
  • ChemSpider ID23344342

More details:

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

(2-Amino-4-{[4-(4-methylphenyl)-1-piperazinyl]methyl}-3-thienyl)(4-chlorophenyl)methanone [ACD/IUPAC Name]
(2-Amino-4-{[4-(4-méthylphényl)-1-pipérazinyl]méthyl}-3-thiényl)(4-chlorophényl)méthanone [French] [ACD/IUPAC Name]
(2-Amino-4-{[4-(4-methylphenyl)-1-piperazinyl]methyl}-3-thienyl)(4-chlorphenyl)methanon [German] [ACD/IUPAC Name]
Methanone, [2-amino-4-[[4-(4-methylphenyl)-1-piperazinyl]methyl]-3-thienyl](4-chlorophenyl)- [ACD/Index Name]
(2-amino-4-((4-p-tolylpiperazin-1-yl)methyl)thiophen-3-yl)(4-chlorophenyl)methanone
(2-amino-4-{[4-(4-methylphenyl)piperazin-1-yl]methyl}thiophen-3-yl)(4-chlorophenyl)methanone
CHEMBL461217
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL461217/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 640.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 341.0±31.5 °C
Index of Refraction: 1.659
Molar Refractivity: 121.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.11
ACD/LogD (pH 5.5): 3.68
ACD/BCF (pH 5.5): 196.13
ACD/KOC (pH 5.5): 725.40
ACD/LogD (pH 7.4): 4.74
ACD/BCF (pH 7.4): 2288.63
ACD/KOC (pH 7.4): 8464.61
Polar Surface Area: 78 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 57.5±3.0 dyne/cm
Molar Volume: 329.2±3.0 cm3

Click to predict properties on the Chemicalize site


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