ethyl {4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-nitrobenzene-1-sulfonyl}acetate
Chemical Structure Depiction of
ethyl {4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-nitrobenzene-1-sulfonyl}acetate
ethyl {4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-nitrobenzene-1-sulfonyl}acetate
Compound characteristics
| Compound ID: | K781-9596 |
| Compound Name: | ethyl {4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-nitrobenzene-1-sulfonyl}acetate |
| Molecular Weight: | 491.52 |
| Molecular Formula: | C22 H25 N3 O8 S |
| Smiles: | CCOC(CS(c1ccc(cc1[N+]([O-])=O)C(N1CCN(CC1)c1ccc(cc1)OC)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4859 |
| logD: | 2.4859 |
| logSw: | -2.9461 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 109.966 |
| InChI Key: | CWWMMULCFBELLR-UHFFFAOYSA-N |