HuagongsheHuagongshe Chemistry Print Report · For research reference only
Ethyl 3-benzylamino-4-piperidino-5-sulphamyl-benzoate
Identifiers & Physical Properties
| Molecular formula | C21H27N3O4S |
|---|---|
| Average molar mass | 417.5 g/mol |
| Monoisotopic mass | 417.17222752 g/mol |
| SMILES | CCOC(=O)c1cc(NCc2ccccc2)c(N2CCCCC2)c(S(N)(=O)=O)c1 |
| InChIKey | FNOGQAVBBZBRRL-UHFFFAOYSA-N |
| PubChem CID | 21505995 |
Chemical & Physical Properties
| XLogP | 3.2 |
|---|---|
| Topological polar surface area | 110 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 7 |
| Rotatable bonds | 8 |
| Heavy atoms | 29 |
| Formal charge | 0 |
| Complexity | 624 |