 |
| Ligand Name: PCM-0102241 |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1331 |
PubChem:
16226903
|
Synonym(s):
- 1-(chloroacetyl)-4-(thien-2-ylsulfonyl)piperazine
- 2-chloro-1-[4-(thiophene-2-sulfonyl)piperazin-1-yl]ethan-1-one
- zinc9428922
- akos001283725
- mcule-2309546619
- ne58039
- upcmld0enat5621412:001
- en300-23037
- 2-chloro-1-(4-(thiophen-2-ylsulfonyl)piperazin-1-yl)ethanone
- 923691-87-6
show 9 synonym(s)
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: ClCC(=O)N1CCN(CC1)S(=O)(=O)c2cccs2 |
| Standard InChI: InChI=1S/C10H13ClN2O3S2/c11-8-9(14)12-3-5-13(6-4-12)18(15,16)10-2-1-7-17-10/h1-2,7H,3-6,8H2 |
| Molecular Formula: C10H13ClN2O3S2 |
Mol. Weight: 308.0056 |
logP: 0.8198 |
| HBD: 0 | HBA: 4 |
| #Rotatable Bonds: 3 | TPSA: 57.69 |