1-{[5-(adamantan-1-yl)-1,3-benzoxazol-2-yl]sulfanyl}propan-2-one
Chemical Structure Depiction of
1-{[5-(adamantan-1-yl)-1,3-benzoxazol-2-yl]sulfanyl}propan-2-one
1-{[5-(adamantan-1-yl)-1,3-benzoxazol-2-yl]sulfanyl}propan-2-one
Compound characteristics
| Compound ID: | 8018-0081 |
| Compound Name: | 1-{[5-(adamantan-1-yl)-1,3-benzoxazol-2-yl]sulfanyl}propan-2-one |
| Molecular Weight: | 341.47 |
| Molecular Formula: | C20 H23 N O2 S |
| Smiles: | CC(CSc1nc2cc(ccc2o1)C12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3838 |
| logD: | 5.3838 |
| logSw: | -5.4589 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 29.9986 |
| InChI Key: | PDJKIFKVDZAVRC-UHFFFAOYSA-N |