N-(6-benzyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(3-cyanophenyl)methyl]-3-methylbutanamide
Chemical Structure Depiction of
N-(6-benzyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(3-cyanophenyl)methyl]-3-methylbutanamide
N-(6-benzyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(3-cyanophenyl)methyl]-3-methylbutanamide
Compound characteristics
| Compound ID: | D614-0399 |
| Compound Name: | N-(6-benzyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(3-cyanophenyl)methyl]-3-methylbutanamide |
| Molecular Weight: | 454.53 |
| Molecular Formula: | C26 H26 N6 O2 |
| Smiles: | [H]C([H])(C1=C(C)Nc2nc(nn2C1=O)N(C(CC(C)C)=O)C([H])([H])c1cccc(C#N)c1)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4359 |
| logD: | 4.4202 |
| logSw: | -4.3908 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.33 |
| InChI Key: | BKLQPTHMCDZHGN-UHFFFAOYSA-N |