N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(2-ethyl-3-oxo-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)acetamide
Chemical Structure Depiction of
N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(2-ethyl-3-oxo-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)acetamide
N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(2-ethyl-3-oxo-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)acetamide
Compound characteristics
| Compound ID: | SD18-0242 |
| Compound Name: | N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(2-ethyl-3-oxo-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)acetamide |
| Molecular Weight: | 442.56 |
| Molecular Formula: | C23 H34 N6 O3 |
| Smiles: | CCN1C(N2CCOC(CC(NCCCN3CCN(CC3)Cc3ccccc3)=O)C2=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.5354 |
| logD: | -0.2843 |
| logSw: | -1.89 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.478 |
| InChI Key: | MYSKPVFOJYVMOY-FQEVSTJZSA-N |