N-(3-chloro-4-fluorophenyl)-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide
N-(3-chloro-4-fluorophenyl)-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide
Compound characteristics
| Compound ID: | J102-0120 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide |
| Molecular Weight: | 349.79 |
| Molecular Formula: | C17 H17 Cl F N3 O2 |
| Smiles: | C1CCC2=CC(N(CC(Nc3ccc(c(c3)[Cl])F)=O)N=C2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3578 |
| logD: | 3.3535 |
| logSw: | -3.6323 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.713 |
| InChI Key: | MVLVCWGOFNDWKD-UHFFFAOYSA-N |