3-[4-(benzenesulfonyl)piperazine-1-carbonyl]-6-bromo-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[4-(benzenesulfonyl)piperazine-1-carbonyl]-6-bromo-2H-1-benzopyran-2-one
3-[4-(benzenesulfonyl)piperazine-1-carbonyl]-6-bromo-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 8016-0278 |
| Compound Name: | 3-[4-(benzenesulfonyl)piperazine-1-carbonyl]-6-bromo-2H-1-benzopyran-2-one |
| Molecular Weight: | 477.33 |
| Molecular Formula: | C20 H17 Br N2 O5 S |
| Smiles: | C1CN(CCN1C(C1=Cc2cc(ccc2OC1=O)[Br])=O)S(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.705 |
| logD: | 2.705 |
| logSw: | -3.3087 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 69.327 |
| InChI Key: | LOGBQHUHHQNICX-UHFFFAOYSA-N |