HuagongsheHuagongshe Chemistry Print Report · For research reference only
Diethyl 5-[(1-adamantylacetyl)amino]-3-methyl-2,4-thiophenedicarboxylate
diethyl 5-[(1-adamantylacetyl)amino]-3-methyl-2,4-thiophenedicarboxylate
![Diethyl 5-[(1-adamantylacetyl)amino]-3-methyl-2,4-thiophenedicarboxylate molecular structure](/img/chemical/178819899.png)
Identifiers & Physical Properties
| CAS No. | 445038-00-6 |
|---|---|
| Molecular formula | C23H31NO5S |
| Average molar mass | 433.6 g/mol |
| SMILES | CCOC(=O)c1sc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c(C(=O)OCC)c1C |
| InChIKey | DTLAOKQZWWIRTJ-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 6.2 |
|---|---|
| Topological polar surface area | 110 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 9 |
| Heavy atoms | 30 |
| Formal charge | 0 |
| Complexity | 654 |