N-{5-[2-(4-methoxyphenyl)ethyl]-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-[2-(4-methoxyphenyl)ethyl]-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-[2-(4-methoxyphenyl)ethyl]-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: | J102-0345 |
| Compound Name: | N-{5-[2-(4-methoxyphenyl)ethyl]-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: | 422.49 |
| Molecular Formula: | C22 H26 N6 O3 |
| Smiles: | COc1ccc(CCc2nc(NC(CN3C(C=C4CCCCCC4=N3)=O)=O)n[nH]2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2292 |
| logD: | 3.218 |
| logSw: | -3.5389 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.167 |
| InChI Key: | RLWQVZXKXBPUBD-UHFFFAOYSA-N |