2-{[2-(octane-1-sulfonyl)ethyl]sulfanyl}-1,3-benzoxazole
Chemical Structure Depiction of
2-{[2-(octane-1-sulfonyl)ethyl]sulfanyl}-1,3-benzoxazole
2-{[2-(octane-1-sulfonyl)ethyl]sulfanyl}-1,3-benzoxazole
Compound characteristics
| Compound ID: | 8020-1874 |
| Compound Name: | 2-{[2-(octane-1-sulfonyl)ethyl]sulfanyl}-1,3-benzoxazole |
| Molecular Weight: | 355.52 |
| Molecular Formula: | C17 H25 N O3 S2 |
| Smiles: | CCCCCCCCS(CCSc1nc2ccccc2o1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0197 |
| logD: | 5.0197 |
| logSw: | -4.7718 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.202 |
| InChI Key: | CDESOPBPRYGGEF-UHFFFAOYSA-N |