8-{2-[4-(3-chlorophenyl)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-(3-chlorophenyl)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-(3-chlorophenyl)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: | SD18-0066 |
| Compound Name: | 8-{2-[4-(3-chlorophenyl)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: | 377.83 |
| Molecular Formula: | C17 H20 Cl N5 O3 |
| Smiles: | C(C1C2=NNC(N2CCO1)=O)C(N1CCN(CC1)c1cccc(c1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4635 |
| logD: | 1.4467 |
| logSw: | -2.5446 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.9 |
| InChI Key: | PMULOCOEMJIIGB-AWEZNQCLSA-N |