8-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-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-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one
8-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one
Compound characteristics
| Compound ID: | SD18-0061 |
| Compound Name: | 8-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2,5,6,8-tetrahydro-3H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-one |
| Molecular Weight: | 371.44 |
| Molecular Formula: | C19 H25 N5 O3 |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(CC1C2=NNC(N2CCO1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0378 |
| logD: | 2.0211 |
| logSw: | -2.6015 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.599 |
| InChI Key: | DVQCCOKXCILSRG-INIZCTEOSA-N |