N-(4-bromo-3-methylphenyl)-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide
N-(4-bromo-3-methylphenyl)-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide
Compound characteristics
| Compound ID: | J102-0119 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide |
| Molecular Weight: | 390.28 |
| Molecular Formula: | C18 H20 Br N3 O2 |
| Smiles: | Cc1cc(ccc1[Br])NC(CN1C(C=C2CCCCCC2=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8022 |
| logD: | 3.8021 |
| logSw: | -3.9499 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.713 |
| InChI Key: | GRZAVYFIVJMNQA-UHFFFAOYSA-N |