ethyl {4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-nitrobenzene-1-sulfonyl}acetate
Chemical Structure Depiction of
ethyl {4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-nitrobenzene-1-sulfonyl}acetate
ethyl {4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-nitrobenzene-1-sulfonyl}acetate
Compound characteristics
| Compound ID: | K781-8612 |
| Compound Name: | ethyl {4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-nitrobenzene-1-sulfonyl}acetate |
| Molecular Weight: | 489.55 |
| Molecular Formula: | C23 H27 N3 O7 S |
| Smiles: | CCOC(CS(c1ccc(cc1[N+]([O-])=O)C(N1CCN(CC1)c1cccc(C)c1C)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5056 |
| logD: | 3.5056 |
| logSw: | -3.9345 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 102.122 |
| InChI Key: | TUDDBHUILZCCBQ-UHFFFAOYSA-N |