N-[(4-chlorophenyl)methyl]-2-ethyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-2-ethyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
N-[(4-chlorophenyl)methyl]-2-ethyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
Compound characteristics
| Compound ID: | S906-0315 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-2-ethyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide |
| Molecular Weight: | 348.83 |
| Molecular Formula: | C17 H21 Cl N4 O2 |
| Smiles: | CCN1C(N2CCC(CCC2=N1)C(NCc1ccc(cc1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1589 |
| logD: | 2.1588 |
| logSw: | -3.0346 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.925 |
| InChI Key: | UKEDHHYULFINJZ-ZDUSSCGKSA-N |