3-[2-(4-chlorophenyl)-4,5-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-phenylpropanamide
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-phenylpropanamide
3-[2-(4-chlorophenyl)-4,5-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-phenylpropanamide
Compound characteristics
| Compound ID: | D527-1015 |
| 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-phenylpropanamide |
| Molecular Weight: | 421.88 |
| Molecular Formula: | C22 H20 Cl N5 O2 |
| Smiles: | [H]C([H])([H])N1C(C)=C(CCC(Nc2ccccc2)=O)C(n2c1nc(c1ccc(cc1)[Cl])n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7423 |
| logD: | 3.7423 |
| logSw: | -4.3976 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.398 |
| InChI Key: | QOMXMPFTPVYOOS-UHFFFAOYSA-N |