2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Chemical Structure Depiction of
2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Compound characteristics
| Compound ID: | S336-0518 |
| Compound Name: | 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one |
| Molecular Weight: | 341.41 |
| Molecular Formula: | C18 H23 N5 O2 |
| Smiles: | C1CCN2C(C1)=NN(CC(N1CCN(CC1)c1ccccc1)=O)C2=O |
| Stereo: | ACHIRAL |
| logP: | 1.3327 |
| logD: | 1.3326 |
| logSw: | -1.8771 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 52.838 |
| InChI Key: | NNXKTOBLFKJBIG-UHFFFAOYSA-N |