2-{[5-(adamantan-1-yl)-1,3-benzoxazol-2-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(adamantan-1-yl)-1,3-benzoxazol-2-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one
2-{[5-(adamantan-1-yl)-1,3-benzoxazol-2-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | 8015-5247 |
| Compound Name: | 2-{[5-(adamantan-1-yl)-1,3-benzoxazol-2-yl]sulfanyl}-1-(4-fluorophenyl)ethan-1-one |
| Molecular Weight: | 421.53 |
| Molecular Formula: | C25 H24 F N O2 S |
| Smiles: | C1C2CC3CC1CC(C2)(C3)c1ccc2c(c1)nc(o2)SCC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8602 |
| logD: | 6.8602 |
| logSw: | -6.1897 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 29.6389 |
| InChI Key: | XSHKYWIKVRGJRJ-UHFFFAOYSA-N |