6-bromo-3-[4-(furan-2-carbonyl)piperazin-1-yl]-4H-1-benzothiopyran-4-one
Chemical Structure Depiction of
6-bromo-3-[4-(furan-2-carbonyl)piperazin-1-yl]-4H-1-benzothiopyran-4-one
6-bromo-3-[4-(furan-2-carbonyl)piperazin-1-yl]-4H-1-benzothiopyran-4-one
Compound characteristics
| Compound ID: | G617-0299 |
| Compound Name: | 6-bromo-3-[4-(furan-2-carbonyl)piperazin-1-yl]-4H-1-benzothiopyran-4-one |
| Molecular Weight: | 419.29 |
| Molecular Formula: | C18 H15 Br N2 O3 S |
| Smiles: | C1CN(CCN1C1=CSc2ccc(cc2C1=O)[Br])C(c1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.547 |
| logD: | 3.547 |
| logSw: | -3.7926 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.519 |
| InChI Key: | UYYNRFRKSIBIEB-UHFFFAOYSA-N |