ethyl 1-[(5-methyl-3-oxo-7-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetyl]piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-[(5-methyl-3-oxo-7-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetyl]piperidine-4-carboxylate
ethyl 1-[(5-methyl-3-oxo-7-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetyl]piperidine-4-carboxylate
Compound characteristics
| Compound ID: | P032-2398 |
| Compound Name: | ethyl 1-[(5-methyl-3-oxo-7-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetyl]piperidine-4-carboxylate |
| Molecular Weight: | 423.47 |
| Molecular Formula: | C22 H25 N5 O4 |
| Smiles: | CCOC(C1CCN(CC1)C(CN1C(N2C(C)=NC(=CC2=N1)c1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7961 |
| logD: | 1.7856 |
| logSw: | -2.1861 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 78.135 |
| InChI Key: | ZWJHAEKUDBXGHO-UHFFFAOYSA-N |