8-{2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-2-methyl-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one
Chemical Structure Depiction of
8-{2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-2-methyl-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one
8-{2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-2-methyl-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one
Compound characteristics
| Compound ID: | SD18-0126 |
| Compound Name: | 8-{2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-2-methyl-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one |
| Molecular Weight: | 391.86 |
| Molecular Formula: | C18 H22 Cl N5 O3 |
| Smiles: | CN1C(N2CCOC(CC(N3CCN(CC3)c3ccc(cc3)[Cl])=O)C2=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6221 |
| logD: | 1.6194 |
| logSw: | -2.2797 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.249 |
| InChI Key: | SQJSFXUTMOGHJD-HNNXBMFYSA-N |