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Search term: FBLJFWZLJFATLC (Found by InChIKey (skeleton match))
ChemSpider 2D Image | {2-Amino-4-[(4-methyl-1-piperazinyl)methyl]-3-thienyl}(4-chlorophenyl)methanone | C17H20ClN3OS

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

  • Molecular FormulaC17H20ClN3OS
  • Average mass349.878 Da
  • Monoisotopic mass349.101563 Da
  • ChemSpider ID23344224

More details:

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

{2-Amino-4-[(4-methyl-1-piperazinyl)methyl]-3-thienyl}(4-chlorophenyl)methanone [ACD/IUPAC Name]
{2-Amino-4-[(4-méthyl-1-pipérazinyl)méthyl]-3-thiényl}(4-chlorophényl)méthanone [French] [ACD/IUPAC Name]
{2-Amino-4-[(4-methyl-1-piperazinyl)methyl]-3-thienyl}(4-chlorphenyl)methanon [German] [ACD/IUPAC Name]
Methanone, [2-amino-4-[(4-methyl-1-piperazinyl)methyl]-3-thienyl](4-chlorophenyl)- [ACD/Index Name]
(2-amino-4-((4-methylpiperazin-1-yl)methyl)thiophen-3-yl)(4-chlorophenyl)methanone
{2-amino-4-[(4-methylpiperazin-1-yl)methyl]thiophen-3-yl}(4-chlorophenyl)methanone
CHEMBL510840
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL510840/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 539.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.7±3.0 kJ/mol
Flash Point: 280.1±30.1 °C
Index of Refraction: 1.640
Molar Refractivity: 96.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.27
ACD/LogD (pH 5.5): 0.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.24
ACD/LogD (pH 7.4): 2.25
ACD/BCF (pH 7.4): 24.43
ACD/KOC (pH 7.4): 267.80
Polar Surface Area: 78 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 268.7±3.0 cm3

Click to predict properties on the Chemicalize site


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