1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-bromobenzene-1-sulfonyl)piperazine
Chemical Structure Depiction of
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-bromobenzene-1-sulfonyl)piperazine
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-bromobenzene-1-sulfonyl)piperazine
Compound characteristics
| Compound ID: | Y030-5201 |
| Compound Name: | 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-bromobenzene-1-sulfonyl)piperazine |
| Molecular Weight: | 439.33 |
| Molecular Formula: | C18 H19 Br N2 O4 S |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)S(c1ccc(cc1)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3948 |
| logD: | 3.2996 |
| logSw: | -3.69 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.605 |
| InChI Key: | LIUBBTLNNWTSRH-UHFFFAOYSA-N |