5-[1-(isoquinoline-1-carbonyl)piperidin-4-yl]-2-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[1-(isoquinoline-1-carbonyl)piperidin-4-yl]-2-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(isoquinoline-1-carbonyl)piperidin-4-yl]-2-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0655 |
| Compound Name: | 5-[1-(isoquinoline-1-carbonyl)piperidin-4-yl]-2-methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 413.48 |
| Molecular Formula: | C24 H23 N5 O2 |
| Smiles: | CN1C(N(C(C2CCN(CC2)C(c2c3ccccc3ccn2)=O)=N1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0149 |
| logD: | 3.0147 |
| logSw: | -3.0072 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.68 |
| InChI Key: | FGGNHWVJGJLYPM-UHFFFAOYSA-N |