Azafenidin
2-(2,4-dichloro-5-propan-2-yloxyphenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-one
Also Known As: Azafenidin|3H-1,2,4-Triazolo(4,3-a)azepin-3-one, 2-(2,4-dichloro-5-(1-methylethoxy)phenyl)-2,5,6,7,8,9-hexahydro-|3H-1,2,4-Triazolo[4,3-a]azepin-3-one, 2-[2,4-dichloro-5-(1-methylethoxy)phenyl]-2,5,6,7,8,9-hexahydro-|2-(2,4-dichloro-5-propan-2-yloxyphenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-one|2-{2,4-Dichloro-5-[(propan-2-yl)oxy]phenyl}-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
| Molecular Formula | C16H19Cl2N3O2 |
|---|---|
| Molecular Weight | 355.08542 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 45.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.08542 |
| Monoisotopic Mass | 355.08542 |
| Heavy Atoms | 23 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 68049-41-2 |
|---|---|
| SMILES | CC(C)OC1=C(C=C(C(=C1)N2C(=O)N3CCCCCC3=N2)Cl)Cl |
| InChIKey | XZLVBCLLBMAXLD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Azafenidin (CAS 68049-41-2), with molecular formula C16H19Cl2N3O2 and molecular weight 355.08542 g/mol. IUPAC: 2-(2,4-dichloro-5-propan-2-yloxyphenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-one.