N-(3-bromophenyl)-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide
Chemical Structure Depiction of
N-(3-bromophenyl)-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide
N-(3-bromophenyl)-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide
Compound characteristics
| Compound ID: | J102-0171 |
| Compound Name: | N-(3-bromophenyl)-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide |
| Molecular Weight: | 376.25 |
| Molecular Formula: | C17 H18 Br N3 O2 |
| Smiles: | C1CCC2=CC(N(CC(Nc3cccc(c3)[Br])=O)N=C2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4357 |
| logD: | 3.4356 |
| logSw: | -3.6325 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.713 |
| InChI Key: | LXMHJLNGUYRMLE-UHFFFAOYSA-N |