 |
| Ligand Name: PCM-0102704 |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1350 |
PubChem:
3844301
|
Synonym(s):
- 1-(chloroacetyl)-4-[(4-chlorophenyl)sulfonyl]piperazine
- 2-chloro-1-[4-(4-chlorobenzenesulfonyl)piperazin-1-yl]ethan-1-one
- zinc3887220
- akos001045728
- mcule-4357480999
- ne20630
- en300-08173
- sr-01000047889
- sr-01000047889-1
- 2-chloro-1-(4-(4-chlorophenylsulfonyl)piperazin-1-yl)ethanone
- 2-chloro-1-{4-[(4-chlorobenzene)sulfonyl]piperazin-1-yl}ethan-1-one
- 731011-99-7
show 11 synonym(s)
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: ClCC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(Cl)cc2 |
| Standard InChI: InChI=1S/C12H14Cl2N2O3S/c13-9-12(17)15-5-7-16(8-6-15)20(18,19)11-3-1-10(14)2-4-11/h1-4H,5-9H2 |
| Molecular Formula: C12H14Cl2N2O3S |
Mol. Weight: 336.01022 |
logP: 1.4117 |
| HBD: 0 | HBA: 3 |
| #Rotatable Bonds: 3 | TPSA: 57.69 |