1-[(4-bromophenyl)methyl]-4-(4-methoxybenzene-1-sulfonyl)piperazine--oxalic acid (1/1)
Chemical Structure Depiction of
1-[(4-bromophenyl)methyl]-4-(4-methoxybenzene-1-sulfonyl)piperazine--oxalic acid (1/1)
1-[(4-bromophenyl)methyl]-4-(4-methoxybenzene-1-sulfonyl)piperazine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3701-0376 |
| Compound Name: | 1-[(4-bromophenyl)methyl]-4-(4-methoxybenzene-1-sulfonyl)piperazine--oxalic acid (1/1) |
| Molecular Weight: | 515.38 |
| Molecular Formula: | C18 H21 Br N2 O3 S |
| Salt: | HOOCCOOH |
| Smiles: | COc1ccc(cc1)S(N1CCN(CC1)Cc1ccc(cc1)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.506 |
| logD: | 3.5036 |
| logSw: | -3.6731 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 43.034 |
| InChI Key: | HROQWAQQGPHDHQ-UHFFFAOYSA-N |