 |
| Ligand Name: PCM-0102327 |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1332 |
PubChem:
9533899
|
Synonym(s):
- 2-chloro-1-[4-(3-fluorobenzenesulfonyl)piperazin-1-yl]ethan-1-one
- 879319-02-5
- zinc8428157
- akos001282043
- mcule-9354217329
- ne39011
- upcmld0enat5568671:001
- en300-22860
- 2-chloro-1-{4-[(3-fluorobenzene)sulfonyl]piperazin-1-yl}ethan-1-one
show 8 synonym(s)
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: Fc1cccc(c1)S(=O)(=O)N2CCN(CC2)C(=O)CCl |
| Standard InChI: InChI=1S/C12H14ClFN2O3S/c13-9-12(17)15-4-6-16(7-5-15)20(18,19)11-3-1-2-10(14)8-11/h1-3,8H,4-7,9H2 |
| Molecular Formula: C12H14ClFN2O3S |
Mol. Weight: 320.03976 |
logP: 0.8974 |
| HBD: 0 | HBA: 3 |
| #Rotatable Bonds: 3 | TPSA: 57.69 |