4-[(1,3-benzothiazol-2-yl)sulfanyl]but-2-yn-1-yl 4-bromobenzoate
Chemical Structure Depiction of
4-[(1,3-benzothiazol-2-yl)sulfanyl]but-2-yn-1-yl 4-bromobenzoate
4-[(1,3-benzothiazol-2-yl)sulfanyl]but-2-yn-1-yl 4-bromobenzoate
Compound characteristics
| Compound ID: | 4615-0392 |
| Compound Name: | 4-[(1,3-benzothiazol-2-yl)sulfanyl]but-2-yn-1-yl 4-bromobenzoate |
| Molecular Weight: | 418.33 |
| Molecular Formula: | C18 H12 Br N O2 S2 |
| Smiles: | C(C#CCSc1nc2ccccc2s1)OC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 6.3446 |
| logD: | 6.3446 |
| logSw: | -6.0807 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 30.0961 |
| InChI Key: | OJYLWQRAMCFBSS-UHFFFAOYSA-N |