1-(4-methoxybenzene-1-sulfonyl)-4-[(3-nitrophenyl)methyl]piperazine--oxalic acid (1/1)
Chemical Structure Depiction of
1-(4-methoxybenzene-1-sulfonyl)-4-[(3-nitrophenyl)methyl]piperazine--oxalic acid (1/1)
1-(4-methoxybenzene-1-sulfonyl)-4-[(3-nitrophenyl)methyl]piperazine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 4240-0486 |
| Compound Name: | 1-(4-methoxybenzene-1-sulfonyl)-4-[(3-nitrophenyl)methyl]piperazine--oxalic acid (1/1) |
| Molecular Weight: | 481.48 |
| Molecular Formula: | C18 H21 N3 O5 S |
| Salt: | HOOCCOOH |
| Smiles: | COc1ccc(cc1)S(N1CCN(CC1)Cc1cccc(c1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5343 |
| logD: | 2.5333 |
| logSw: | -2.757 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 76.415 |
| InChI Key: | LMXBRNNMHXJGKV-UHFFFAOYSA-N |