3-[4-(4-bromobenzoyl)piperazin-1-yl]-1H-1lambda~6~,2-benzothiazole-1,1-dione
Chemical Structure Depiction of
3-[4-(4-bromobenzoyl)piperazin-1-yl]-1H-1lambda~6~,2-benzothiazole-1,1-dione
3-[4-(4-bromobenzoyl)piperazin-1-yl]-1H-1lambda~6~,2-benzothiazole-1,1-dione
Compound characteristics
| Compound ID: | 5058-0041 |
| Compound Name: | 3-[4-(4-bromobenzoyl)piperazin-1-yl]-1H-1lambda~6~,2-benzothiazole-1,1-dione |
| Molecular Weight: | 434.31 |
| Molecular Formula: | C18 H16 Br N3 O3 S |
| Smiles: | C1CN(CCN1C1c2ccccc2S(N=1)(=O)=O)C(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.4205 |
| logD: | 2.4205 |
| logSw: | -2.7661 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.586 |
| InChI Key: | FXLOLBAYUFAFTA-UHFFFAOYSA-N |