3-[2-(4-chlorophenyl)-4,5-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(pyridin-3-yl)methyl]propanamide
Chemical Structure Depiction of
3-[2-(4-chlorophenyl)-4,5-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(pyridin-3-yl)methyl]propanamide
3-[2-(4-chlorophenyl)-4,5-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(pyridin-3-yl)methyl]propanamide
Compound characteristics
| Compound ID: | D527-1064 |
| Compound Name: | 3-[2-(4-chlorophenyl)-4,5-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(pyridin-3-yl)methyl]propanamide |
| Molecular Weight: | 436.9 |
| Molecular Formula: | C22 H21 Cl N6 O2 |
| Smiles: | [H]C([H])([H])N1C(C)=C(CCC(NCc2cccnc2)=O)C(n2c1nc(c1ccc(cc1)[Cl])n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4065 |
| logD: | 2.4041 |
| logSw: | -3.3091 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.238 |
| InChI Key: | SALPODPFSSEQHH-UHFFFAOYSA-N |