2-{[5-(adamantan-1-yl)-1,3-benzoxazol-2-yl]sulfanyl}-N-[(2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)methyl]acetamide
Chemical Structure Depiction of
2-{[5-(adamantan-1-yl)-1,3-benzoxazol-2-yl]sulfanyl}-N-[(2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)methyl]acetamide
2-{[5-(adamantan-1-yl)-1,3-benzoxazol-2-yl]sulfanyl}-N-[(2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)methyl]acetamide
Compound characteristics
| Compound ID: | 8019-8753 |
| Compound Name: | 2-{[5-(adamantan-1-yl)-1,3-benzoxazol-2-yl]sulfanyl}-N-[(2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)methyl]acetamide |
| Molecular Weight: | 501.65 |
| Molecular Formula: | C29 H31 N3 O3 S |
| Smiles: | C1Cc2cc(CNC(CSc3nc4cc(ccc4o3)C34CC5CC(CC(C5)C4)C3)=O)ccc2NC1=O |
| Stereo: | ACHIRAL |
| logP: | 5.6441 |
| logD: | 5.6441 |
| logSw: | -5.9134 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.684 |
| InChI Key: | YOTPIYAWAHFZFJ-UHFFFAOYSA-N |