1-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}azepan-2-one
Chemical Structure Depiction of
1-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}azepan-2-one
1-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}azepan-2-one
Compound characteristics
| Compound ID: | 8012-7292 |
| Compound Name: | 1-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}azepan-2-one |
| Molecular Weight: | 276.35 |
| Molecular Formula: | C14 H16 N2 O2 S |
| Smiles: | C1CCC(N(CC1)CSc1nc2ccccc2o1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0604 |
| logD: | 3.0604 |
| logSw: | -3.1155 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.257 |
| InChI Key: | BZMQSLGHSQDRFS-UHFFFAOYSA-N |