N-{5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl}-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide
Chemical Structure Depiction of
N-{5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl}-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide
N-{5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl}-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide
Compound characteristics
| Compound ID: | J102-0315 |
| Compound Name: | N-{5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl}-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide |
| Molecular Weight: | 408.46 |
| Molecular Formula: | C21 H24 N6 O3 |
| Smiles: | COc1ccc(Cc2nc(NC(CN3C(C=C4CCCCCC4=N3)=O)=O)n[nH]2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.8065 |
| logD: | 2.802 |
| logSw: | -3.3115 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.167 |
| InChI Key: | IOVJRJVPFNKEPX-UHFFFAOYSA-N |