1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(5-bromo-2-methoxybenzene-1-sulfonyl)piperazine
Chemical Structure Depiction of
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(5-bromo-2-methoxybenzene-1-sulfonyl)piperazine
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(5-bromo-2-methoxybenzene-1-sulfonyl)piperazine
Compound characteristics
| Compound ID: | 7065-0117 |
| Compound Name: | 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(5-bromo-2-methoxybenzene-1-sulfonyl)piperazine |
| Molecular Weight: | 469.35 |
| Molecular Formula: | C19 H21 Br N2 O5 S |
| Smiles: | COc1ccc(cc1S(N1CCN(CC1)Cc1ccc2c(c1)OCO2)(=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.0925 |
| logD: | 2.9974 |
| logSw: | -3.2533 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 60.236 |
| InChI Key: | SFZLMDRVDHUWGV-UHFFFAOYSA-N |