HuagongsheHuagongshe Chemistry Print Report · For research reference only
10-Benzylthio-10-demethoxy-colchicine
Identifiers & Physical Properties
| CAS No. | 76129-12-9 |
|---|---|
| Molecular formula | C28H29NO5S |
| Average molar mass | 491.6 g/mol |
| Monoisotopic mass | 491.1766442 g/mol |
| SMILES | COc1cc2c(c(OC)c1OC)-c1ccc(SCc3ccccc3)c(=O)cc1C(NC(C)=O)CC2 |
| InChIKey | GBYSTLGOMHZCPZ-UHFFFAOYSA-N |
| PubChem CID | 99713 |
Chemical & Physical Properties
| XLogP | 4.1 |
|---|---|
| Topological polar surface area | 99.2 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 7 |
| Heavy atoms | 35 |
| Formal charge | 0 |
| Complexity | 875 |