1-[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]-2-(pyridin-3-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-(pyridin-3-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-(pyridin-3-yl)ethan-1-one
Compound characteristics
| Compound ID: | S572-0647 |
| Compound Name: | 1-[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]-2-(pyridin-3-yl)ethan-1-one |
| Molecular Weight: | 374.42 |
| Molecular Formula: | C22 H19 F N4 O |
| Smiles: | C(C(N1[C@H]2CC[C@@H]1c1cnc(c3ccc(cc3)F)nc1C2)=O)c1cccnc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6069 |
| logD: | 2.5984 |
| logSw: | -2.4273 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.623 |
| InChI Key: | FNLVNDWUDGHYLU-PXNSSMCTSA-N |