1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(4-methylbenzene-1-sulfonyl)piperazine--oxalic acid (1/1)
Chemical Structure Depiction of
1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(4-methylbenzene-1-sulfonyl)piperazine--oxalic acid (1/1)
1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(4-methylbenzene-1-sulfonyl)piperazine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4964-2358 |
| Compound Name: | 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(4-methylbenzene-1-sulfonyl)piperazine--oxalic acid (1/1) |
| Molecular Weight: | 494.56 |
| Molecular Formula: | C21 H28 N2 O4 S |
| Salt: | HOOCCOOH |
| Smiles: | CCOc1cc(CN2CCN(CC2)S(c2ccc(C)cc2)(=O)=O)ccc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.8317 |
| logD: | 2.7366 |
| logSw: | -3.1897 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 50.331 |
| InChI Key: | CZVBMFBAIWGXHS-UHFFFAOYSA-N |