ethyl 4-{3-[5-methyl-7-oxo-2-phenyl-4-(prop-2-en-1-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{3-[5-methyl-7-oxo-2-phenyl-4-(prop-2-en-1-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoyl}piperazine-1-carboxylate
ethyl 4-{3-[5-methyl-7-oxo-2-phenyl-4-(prop-2-en-1-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | D527-0309 |
| Compound Name: | ethyl 4-{3-[5-methyl-7-oxo-2-phenyl-4-(prop-2-en-1-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoyl}piperazine-1-carboxylate |
| Molecular Weight: | 478.55 |
| Molecular Formula: | C25 H30 N6 O4 |
| Smiles: | [H]C([H])(C=C)N1C(C)=C(CCC(N2CCN(CC2)C(=O)OCC)=O)C(n2c1nc(c1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7888 |
| logD: | 2.7888 |
| logSw: | -2.8811 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.633 |
| InChI Key: | RIJZPXSSOPTDSN-UHFFFAOYSA-N |