1-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-2-phenoxyethan-1-one
Chemical Structure Depiction of
1-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-2-phenoxyethan-1-one
1-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-2-phenoxyethan-1-one
Compound characteristics
| Compound ID: | K940-0422 |
| Compound Name: | 1-[4-(3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-2-phenoxyethan-1-one |
| Molecular Weight: | 405.43 |
| Molecular Formula: | C18 H19 N3 O6 S |
| Smiles: | C1CN(CCN1C(COc1ccccc1)=O)S(c1cccc(c1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7777 |
| logD: | 1.7777 |
| logSw: | -2.5843 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 88.759 |
| InChI Key: | AVLQBAGVOYCPOA-UHFFFAOYSA-N |