1-(4-chlorobenzene-1-sulfonyl)-4-[(3-fluorophenyl)methyl]piperazine--oxalic acid (1/1)
Chemical Structure Depiction of
1-(4-chlorobenzene-1-sulfonyl)-4-[(3-fluorophenyl)methyl]piperazine--oxalic acid (1/1)
1-(4-chlorobenzene-1-sulfonyl)-4-[(3-fluorophenyl)methyl]piperazine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4092-0514 |
| Compound Name: | 1-(4-chlorobenzene-1-sulfonyl)-4-[(3-fluorophenyl)methyl]piperazine--oxalic acid (1/1) |
| Molecular Weight: | 458.89 |
| Molecular Formula: | C17 H18 Cl F N2 O2 S |
| Salt: | HOOCCOOH |
| Smiles: | C1CN(CCN1Cc1cccc(c1)F)S(c1ccc(cc1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4066 |
| logD: | 3.4028 |
| logSw: | -3.703 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 35.49 |
| InChI Key: | NMNPBYAOEYVVFY-UHFFFAOYSA-N |