2-ethyl-3-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
Chemical Structure Depiction of
2-ethyl-3-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
2-ethyl-3-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
Compound characteristics
| Compound ID: | S906-0389 |
| Compound Name: | 2-ethyl-3-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide |
| Molecular Weight: | 412.53 |
| Molecular Formula: | C22 H32 N6 O2 |
| Smiles: | CCN1C(N2CCC(CCC2=N1)C(NCCN1CCN(CC1)c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.607 |
| logD: | 1.4605 |
| logSw: | -1.9507 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.01 |
| InChI Key: | KHOZZZKPVQAJJM-GOSISDBHSA-N |