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]-N-[(pyridin-3-yl)methyl]propanamide
Chemical Structure Depiction of
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]-N-[(pyridin-3-yl)methyl]propanamide
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]-N-[(pyridin-3-yl)methyl]propanamide
Compound characteristics
| Compound ID: | D527-0364 |
| Compound Name: | 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]-N-[(pyridin-3-yl)methyl]propanamide |
| Molecular Weight: | 428.49 |
| Molecular Formula: | C24 H24 N6 O2 |
| Smiles: | [H]C([H])(C=C)N1C(C)=C(CCC(NCc2cccnc2)=O)C(n2c1nc(c1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4305 |
| logD: | 2.4281 |
| logSw: | -2.1649 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.45 |
| InChI Key: | DNTPIQNLAYXOCY-UHFFFAOYSA-N |