2-(4-fluorophenoxy)-1-[rel-(5R,8S)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]ethan-1-one
Chemical Structure Depiction of
2-(4-fluorophenoxy)-1-[rel-(5R,8S)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]ethan-1-one
2-(4-fluorophenoxy)-1-[rel-(5R,8S)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]ethan-1-one
Compound characteristics
| Compound ID: | S572-0446 |
| Compound Name: | 2-(4-fluorophenoxy)-1-[rel-(5R,8S)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]ethan-1-one |
| Molecular Weight: | 389.43 |
| Molecular Formula: | C23 H20 F N3 O2 |
| Smiles: | C1C[C@@H]2c3cnc(c4ccccc4)nc3C[C@H]1N2C(COc1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.4618 |
| logD: | 3.4618 |
| logSw: | -3.3198 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.605 |
| InChI Key: | QRTICDSXZSZJPD-UTKZUKDTSA-N |