1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(2-methyl-5-nitrobenzene-1-sulfonyl)piperazine
Chemical Structure Depiction of
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(2-methyl-5-nitrobenzene-1-sulfonyl)piperazine
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(2-methyl-5-nitrobenzene-1-sulfonyl)piperazine
Compound characteristics
| Compound ID: | 8016-0344 |
| Compound Name: | 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(2-methyl-5-nitrobenzene-1-sulfonyl)piperazine |
| Molecular Weight: | 419.45 |
| Molecular Formula: | C19 H21 N3 O6 S |
| Smiles: | Cc1ccc(cc1S(N1CCN(CC1)Cc1ccc2c(c1)OCO2)(=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.8906 |
| logD: | 2.7954 |
| logSw: | -3.2765 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 85.987 |
| InChI Key: | SYDQBDZGFMRTOY-UHFFFAOYSA-N |