2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}acetamide
Chemical Structure Depiction of
2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}acetamide
2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}acetamide
Compound characteristics
| Compound ID: | J102-0089 |
| Compound Name: | 2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}acetamide |
| Molecular Weight: | 378.43 |
| Molecular Formula: | C20 H22 N6 O2 |
| Smiles: | C1CCC2=CC(N(CC(Nc3ccc(Cn4cncn4)cc3)=O)N=C2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4725 |
| logD: | 1.4725 |
| logSw: | -2.0606 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.69 |
| InChI Key: | OAMCKGGVVUHYFZ-UHFFFAOYSA-N |