4-[4-(4-methoxyphenyl)piperazin-1-yl]-3-nitrobenzoic acid
Chemical Structure Depiction of
4-[4-(4-methoxyphenyl)piperazin-1-yl]-3-nitrobenzoic acid
4-[4-(4-methoxyphenyl)piperazin-1-yl]-3-nitrobenzoic acid
Compound characteristics
| Compound ID: | K781-0460 |
| Compound Name: | 4-[4-(4-methoxyphenyl)piperazin-1-yl]-3-nitrobenzoic acid |
| Molecular Weight: | 357.36 |
| Molecular Formula: | C18 H19 N3 O5 |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)c1ccc(cc1[N+]([O-])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5336 |
| logD: | 0.7139 |
| logSw: | -3.8546 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.683 |
| InChI Key: | RVOPDFKSBXCWCB-UHFFFAOYSA-N |