2-[4-oxo-3-(propan-2-yl)-3,4-dihydrophthalazin-1-yl]-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}acetamide
Chemical Structure Depiction of
2-[4-oxo-3-(propan-2-yl)-3,4-dihydrophthalazin-1-yl]-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}acetamide
2-[4-oxo-3-(propan-2-yl)-3,4-dihydrophthalazin-1-yl]-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}acetamide
Compound characteristics
| Compound ID: | Y043-3106 |
| Compound Name: | 2-[4-oxo-3-(propan-2-yl)-3,4-dihydrophthalazin-1-yl]-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}acetamide |
| Molecular Weight: | 402.45 |
| Molecular Formula: | C22 H22 N6 O2 |
| Smiles: | CC(C)N1C(c2ccccc2C(CC(Nc2ccc(Cn3cncn3)cc2)=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0849 |
| logD: | 2.0849 |
| logSw: | -2.9922 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.41 |
| InChI Key: | GSJCTOHWJOHGJF-UHFFFAOYSA-N |