1-(4-chlorobenzene-1-sulfonyl)-4-{[4-(methylsulfanyl)phenyl]methyl}piperazine--oxalic acid (1/1)
Chemical Structure Depiction of
1-(4-chlorobenzene-1-sulfonyl)-4-{[4-(methylsulfanyl)phenyl]methyl}piperazine--oxalic acid (1/1)
1-(4-chlorobenzene-1-sulfonyl)-4-{[4-(methylsulfanyl)phenyl]methyl}piperazine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | Y511-2426 |
| Compound Name: | 1-(4-chlorobenzene-1-sulfonyl)-4-{[4-(methylsulfanyl)phenyl]methyl}piperazine--oxalic acid (1/1) |
| Molecular Weight: | 486.99 |
| Molecular Formula: | C18 H21 Cl N2 O2 S2 |
| Salt: | HOOCCOOH |
| Smiles: | CSc1ccc(CN2CCN(CC2)S(c2ccc(cc2)[Cl])(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.004 |
| logD: | 4.001 |
| logSw: | -4.372 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 35.49 |
| InChI Key: | XBFYRDXNDBDDAK-UHFFFAOYSA-N |