2-[(1,3-benzoxazol-2-yl)sulfanyl]cyclohexan-1-one
Chemical Structure Depiction of
2-[(1,3-benzoxazol-2-yl)sulfanyl]cyclohexan-1-one
2-[(1,3-benzoxazol-2-yl)sulfanyl]cyclohexan-1-one
Compound characteristics
| Compound ID: | 8009-1393 |
| Compound Name: | 2-[(1,3-benzoxazol-2-yl)sulfanyl]cyclohexan-1-one |
| Molecular Weight: | 247.31 |
| Molecular Formula: | C13 H13 N O2 S |
| Smiles: | C1CCC(C(C1)Sc1nc2ccccc2o1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4457 |
| logD: | 3.4457 |
| logSw: | -3.6755 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 30.0703 |
| InChI Key: | JPRIGKIPDGLRFZ-LBPRGKRZSA-N |