1-[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]propan-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]propan-1-one
1-[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]propan-1-one
Compound characteristics
| Compound ID: | S572-0689 |
| Compound Name: | 1-[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]propan-1-one |
| Molecular Weight: | 311.36 |
| Molecular Formula: | C18 H18 F N3 O |
| Smiles: | CCC(N1[C@H]2CC[C@@H]1c1cnc(c3ccc(cc3)F)nc1C2)=O |
| Stereo: | RELATIVE |
| logP: | 2.8354 |
| logD: | 2.8354 |
| logSw: | -2.8481 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 35.377 |
| InChI Key: | MTYXTTBPSNWNNC-BBRMVZONSA-N |