2-{[5-(adamantan-1-yl)-1,3-benzoxazol-2-yl]sulfanyl}-1-phenylethan-1-one
Chemical Structure Depiction of
2-{[5-(adamantan-1-yl)-1,3-benzoxazol-2-yl]sulfanyl}-1-phenylethan-1-one
2-{[5-(adamantan-1-yl)-1,3-benzoxazol-2-yl]sulfanyl}-1-phenylethan-1-one
Compound characteristics
| Compound ID: | 8018-0082 |
| Compound Name: | 2-{[5-(adamantan-1-yl)-1,3-benzoxazol-2-yl]sulfanyl}-1-phenylethan-1-one |
| Molecular Weight: | 403.54 |
| Molecular Formula: | C25 H25 N O2 S |
| Smiles: | C1C2CC3CC1CC(C2)(C3)c1ccc2c(c1)nc(o2)SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7261 |
| logD: | 6.7261 |
| logSw: | -6.3032 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 29.6389 |
| InChI Key: | CSLUQGPPZVJGNO-UHFFFAOYSA-N |