N-[(3-cyanophenyl)methyl]-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methylbutanamide
Chemical Structure Depiction of
N-[(3-cyanophenyl)methyl]-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methylbutanamide
N-[(3-cyanophenyl)methyl]-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methylbutanamide
Compound characteristics
| Compound ID: | D614-0199 |
| Compound Name: | N-[(3-cyanophenyl)methyl]-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-methylbutanamide |
| Molecular Weight: | 378.43 |
| Molecular Formula: | C20 H22 N6 O2 |
| Smiles: | [H]C([H])(c1cccc(C#N)c1)N(C(CC(C)C)=O)c1nc2NC(C)=C(C)C(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9736 |
| logD: | 2.8524 |
| logSw: | -3.2489 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.602 |
| InChI Key: | FZOZTQUJXNINIZ-UHFFFAOYSA-N |