4-[(1,3-benzoxazol-2-yl)sulfanyl]butan-2-one
Chemical Structure Depiction of
4-[(1,3-benzoxazol-2-yl)sulfanyl]butan-2-one
4-[(1,3-benzoxazol-2-yl)sulfanyl]butan-2-one
Compound characteristics
| Compound ID: | 8020-1878 |
| Compound Name: | 4-[(1,3-benzoxazol-2-yl)sulfanyl]butan-2-one |
| Molecular Weight: | 221.27 |
| Molecular Formula: | C11 H11 N O2 S |
| Smiles: | CC(CCSc1nc2ccccc2o1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4154 |
| logD: | 2.4154 |
| logSw: | -2.4215 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 30.2368 |
| InChI Key: | CHFNXNLUXGFTOM-UHFFFAOYSA-N |