2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
Chemical Structure Depiction of
2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
Compound characteristics
| Compound ID: | J102-0084 |
| Compound Name: | 2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide |
| Molecular Weight: | 438.43 |
| Molecular Formula: | C19 H17 F3 N4 O3 S |
| Smiles: | C1CCC2=CC(N(CC(Nc3nc4ccc(cc4s3)OC(F)(F)F)=O)N=C2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5776 |
| logD: | 4.5776 |
| logSw: | -4.4664 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.411 |
| InChI Key: | ATHISIDYELEGFZ-UHFFFAOYSA-N |