2-(2-ethyl-3-oxo-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
Chemical Structure Depiction of
2-(2-ethyl-3-oxo-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
2-(2-ethyl-3-oxo-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | SD18-0209 |
| Compound Name: | 2-(2-ethyl-3-oxo-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-8-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide |
| Molecular Weight: | 414.51 |
| Molecular Formula: | C21 H30 N6 O3 |
| Smiles: | CCN1C(N2CCOC(CC(NCCN3CCN(CC3)c3ccccc3)=O)C2=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.7311 |
| logD: | 0.6074 |
| logSw: | -1.8155 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.198 |
| InChI Key: | LZHXQQQVXGTYGM-SFHVURJKSA-N |