2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)-N-{2-[2-(trifluoromethyl)-1H-benzimidazol-1-yl]ethyl}acetamide
Chemical Structure Depiction of
2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)-N-{2-[2-(trifluoromethyl)-1H-benzimidazol-1-yl]ethyl}acetamide
2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)-N-{2-[2-(trifluoromethyl)-1H-benzimidazol-1-yl]ethyl}acetamide
Compound characteristics
| Compound ID: | J102-0327 |
| Compound Name: | 2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)-N-{2-[2-(trifluoromethyl)-1H-benzimidazol-1-yl]ethyl}acetamide |
| Molecular Weight: | 433.43 |
| Molecular Formula: | C21 H22 F3 N5 O2 |
| Smiles: | C1CCC2=CC(N(CC(NCCn3c4ccccc4nc3C(F)(F)F)=O)N=C2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9859 |
| logD: | 2.9859 |
| logSw: | -3.1967 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.056 |
| InChI Key: | LSLXXYGJKPGSBP-UHFFFAOYSA-N |