N-[(4-cyanophenyl)methyl]-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide
Chemical Structure Depiction of
N-[(4-cyanophenyl)methyl]-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide
N-[(4-cyanophenyl)methyl]-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide
Compound characteristics
| Compound ID: | D614-0157 |
| Compound Name: | N-[(4-cyanophenyl)methyl]-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide |
| Molecular Weight: | 426.48 |
| Molecular Formula: | C24 H22 N6 O2 |
| Smiles: | [H]C([H])(c1ccc(C#N)cc1)N(C(CCc1ccccc1)=O)c1nc2NC(C)=C(C)C(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.864 |
| logD: | 3.7428 |
| logSw: | -4.0992 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.33 |
| InChI Key: | APKHWXBLSGIUDS-UHFFFAOYSA-N |