ethyl 4-[3-(4-ethyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[3-(4-ethyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperazine-1-carboxylate
ethyl 4-[3-(4-ethyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | D527-0109 |
| Compound Name: | ethyl 4-[3-(4-ethyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperazine-1-carboxylate |
| Molecular Weight: | 466.54 |
| Molecular Formula: | C24 H30 N6 O4 |
| Smiles: | [H]C([H])([H])C([H])([H])N1C(C)=C(CCC(N2CCN(CC2)C(=O)OCC)=O)C(n2c1nc(c1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6029 |
| logD: | 2.6029 |
| logSw: | -2.6161 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.38 |
| InChI Key: | UGYCWFNNXIRJTK-UHFFFAOYSA-N |