| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 653552FH1N |
Structure
| InChI Key | OSJJYEUEJRVVOD-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value | |
|---|---|---|
| Molecular Formula | C21H24ClN3OS | |
| Molecular Weight | 401.96 | |
| AlogP | 4.53 | |
| Hydrogen Bond Acceptor | 4.0 | |
| Hydrogen Bond Donor | 1.0 | |
| Number of Rotational Bond | 5.0 | |
| Polar Surface Area | 49.57 | |
| Molecular species | BASE | |
| Aromatic Rings | 2.0 | |
| Heavy Atoms | 27.0 |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 135641 |
| ChEMBL | CHEMBL1909072 |
| DrugCentral | 2180 |
| EPA CompTox | DTXSID3023477 |
| FDA SRS | 653552FH1N |
| PubChem | 6761 |
| SureChEMBL | SCHEMBL49665 |
| ZINC | ZINC000000538183 |
CONTENTS