1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-nitrobenzene-1-sulfonyl)piperazine
Chemical Structure Depiction of
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-nitrobenzene-1-sulfonyl)piperazine
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-nitrobenzene-1-sulfonyl)piperazine
Compound characteristics
| Compound ID: | 4100-2593 |
| Compound Name: | 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-nitrobenzene-1-sulfonyl)piperazine |
| Molecular Weight: | 405.43 |
| Molecular Formula: | C18 H19 N3 O6 S |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4866 |
| logD: | 2.3914 |
| logSw: | -2.7722 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 85.987 |
| InChI Key: | RWHXEFMQPUXCPY-UHFFFAOYSA-N |