4-[(1,3-benzoxazol-2-yl)sulfanyl]but-2-yn-1-yl 4-bromobenzoate
Chemical Structure Depiction of
4-[(1,3-benzoxazol-2-yl)sulfanyl]but-2-yn-1-yl 4-bromobenzoate
4-[(1,3-benzoxazol-2-yl)sulfanyl]but-2-yn-1-yl 4-bromobenzoate
Compound characteristics
| Compound ID: | 4615-0396 |
| Compound Name: | 4-[(1,3-benzoxazol-2-yl)sulfanyl]but-2-yn-1-yl 4-bromobenzoate |
| Molecular Weight: | 402.26 |
| Molecular Formula: | C18 H12 Br N O3 S |
| Smiles: | C(C#CCSc1nc2ccccc2o1)OC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.8105 |
| logD: | 5.8105 |
| logSw: | -6.0343 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 37.678 |
| InChI Key: | WTBOVHQYYVNHRQ-UHFFFAOYSA-N |