1-[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethan-1-one
1-[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | S572-0687 |
| Compound Name: | 1-[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethan-1-one |
| Molecular Weight: | 445.42 |
| Molecular Formula: | C22 H19 F4 N5 O |
| Smiles: | Cc1cc(C(F)(F)F)nn1CC(N1[C@H]2CC[C@@H]1c1cnc(c3ccc(cc3)F)nc1C2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.0444 |
| logD: | 3.0444 |
| logSw: | -2.8949 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.306 |
| InChI Key: | AIDTUNILCSJUGW-YJBOKZPZSA-N |