4-[4-(2-methoxyphenyl)piperazin-1-yl]-3,5-dinitrobenzoic acid
Chemical Structure Depiction of
4-[4-(2-methoxyphenyl)piperazin-1-yl]-3,5-dinitrobenzoic acid
4-[4-(2-methoxyphenyl)piperazin-1-yl]-3,5-dinitrobenzoic acid
Compound characteristics
| Compound ID: | 8008-5572 |
| Compound Name: | 4-[4-(2-methoxyphenyl)piperazin-1-yl]-3,5-dinitrobenzoic acid |
| Molecular Weight: | 402.36 |
| Molecular Formula: | C18 H18 N4 O7 |
| Smiles: | COc1ccccc1N1CCN(CC1)c1c(cc(cc1[N+]([O-])=O)C(O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9755 |
| logD: | 0.7308 |
| logSw: | -4.173 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.248 |
| InChI Key: | WLGWGOUWOMGWIA-UHFFFAOYSA-N |