N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-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-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-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-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-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: | SD18-0249 |
| Compound Name: | N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-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: | 448.95 |
| Molecular Formula: | C21 H29 Cl N6 O3 |
| Smiles: | CCN1C(N2CCOC(CC(NCCN3CCN(CC3)c3cccc(c3)[Cl])=O)C2=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3148 |
| logD: | 1.191 |
| logSw: | -2.6454 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.198 |
| InChI Key: | NPVBBUUWLCBFHY-SFHVURJKSA-N |