1-[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]-2-(3-methylphenoxy)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-(3-methylphenoxy)ethan-1-one
1-[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]-2-(3-methylphenoxy)ethan-1-one
Compound characteristics
| Compound ID: | S572-0684 |
| Compound Name: | 1-[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]-2-(3-methylphenoxy)ethan-1-one |
| Molecular Weight: | 403.46 |
| Molecular Formula: | C24 H22 F N3 O2 |
| Smiles: | Cc1cccc(c1)OCC(N1[C@H]2CC[C@@H]1c1cnc(c3ccc(cc3)F)nc1C2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.0582 |
| logD: | 4.0582 |
| logSw: | -4.1564 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.605 |
| InChI Key: | JEKXVVIGHBPERA-AVRDEDQJSA-N |