3-methyl-4-(4-methylbenzene-1-sulfonyl)-1-(4-nitrophenyl)piperazin-2-one
Chemical Structure Depiction of
3-methyl-4-(4-methylbenzene-1-sulfonyl)-1-(4-nitrophenyl)piperazin-2-one
3-methyl-4-(4-methylbenzene-1-sulfonyl)-1-(4-nitrophenyl)piperazin-2-one
Compound characteristics
| Compound ID: | V028-5759 |
| Compound Name: | 3-methyl-4-(4-methylbenzene-1-sulfonyl)-1-(4-nitrophenyl)piperazin-2-one |
| Molecular Weight: | 389.43 |
| Molecular Formula: | C18 H19 N3 O5 S |
| Salt: | not_available |
| Smiles: | CC1C(N(CCN1S(c1ccc(C)cc1)(=O)=O)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9906 |
| logD: | 2.9906 |
| logSw: | -3.4353 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.197 |
| InChI Key: | XKIYHZYUWXEWIA-AWEZNQCLSA-N |