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Search term: KYYXRPCNRQBMKL-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2-Amino-4-{[4-(4-fluorophenyl)-1-piperazinyl]methyl}-3-thienyl)(4-chlorophenyl)methanone | C22H21ClFN3OS

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

  • Molecular FormulaC22H21ClFN3OS
  • Average mass429.938 Da
  • Monoisotopic mass429.107788 Da
  • ChemSpider ID23344290

More details:

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

(2-Amino-4-{[4-(4-fluorophenyl)-1-piperazinyl]methyl}-3-thienyl)(4-chlorophenyl)methanone [ACD/IUPAC Name]
(2-Amino-4-{[4-(4-fluorophényl)-1-pipérazinyl]méthyl}-3-thiényl)(4-chlorophényl)méthanone [French] [ACD/IUPAC Name]
(2-Amino-4-{[4-(4-fluorphenyl)-1-piperazinyl]methyl}-3-thienyl)(4-chlorphenyl)methanon [German] [ACD/IUPAC Name]
Methanone, [2-amino-4-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-3-thienyl](4-chlorophenyl)- [ACD/Index Name]
(2-amino-4-((4-(4-fluorophenyl)piperazin-1-yl)methyl)thiophen-3-yl)(4-chlorophenyl)methanone
(2-amino-4-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}thiophen-3-yl)(4-chlorophenyl)methanone
CHEMBL459943
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL459943/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 632.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.5±3.0 kJ/mol
Flash Point: 336.4±31.5 °C
Index of Refraction: 1.656
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: 4.74
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 219.44
ACD/KOC (pH 5.5): 987.43
ACD/LogD (pH 7.4): 4.39
ACD/BCF (pH 7.4): 1255.11
ACD/KOC (pH 7.4): 5647.71
Polar Surface Area: 78 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 58.1±3.0 dyne/cm
Molar Volume: 317.1±3.0 cm3

Click to predict properties on the Chemicalize site


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