N-benzyl-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-benzyl-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide
N-benzyl-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: | D524-2383 |
| Compound Name: | N-benzyl-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide |
| Molecular Weight: | 401.47 |
| Molecular Formula: | C23 H23 N5 O2 |
| Smiles: | [H]C([H])(c1ccccc1)N(C(CCc1ccccc1)=O)c1nc2NC(C)=C(C)C(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2096 |
| logD: | 4.0884 |
| logSw: | -4.3248 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.274 |
| InChI Key: | SGLUCRWHNBPVAC-UHFFFAOYSA-N |