1-[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]-2-phenoxyethan-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-phenoxyethan-1-one
1-[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]-2-phenoxyethan-1-one
Compound characteristics
| Compound ID: | S572-0674 |
| Compound Name: | 1-[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]-2-phenoxyethan-1-one |
| Molecular Weight: | 389.43 |
| Molecular Formula: | C23 H20 F N3 O2 |
| Smiles: | C1C[C@@H]2c3cnc(c4ccc(cc4)F)nc3C[C@H]1N2C(COc1ccccc1)=O |
| Stereo: | RELATIVE |
| logP: | 3.5384 |
| logD: | 3.5384 |
| logSw: | -3.3954 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.605 |
| InChI Key: | MKOYHQSAMUDZKZ-UWJYYQICSA-N |