1-[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]-3-phenylpropan-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]-3-phenylpropan-1-one
1-[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]-3-phenylpropan-1-one
Compound characteristics
| Compound ID: | S572-0679 |
| Compound Name: | 1-[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]-3-phenylpropan-1-one |
| Molecular Weight: | 387.46 |
| Molecular Formula: | C24 H22 F N3 O |
| Smiles: | C(Cc1ccccc1)C(N1[C@H]2CC[C@@H]1c1cnc(c3ccc(cc3)F)nc1C2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.3136 |
| logD: | 4.3136 |
| logSw: | -4.4366 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 35.106 |
| InChI Key: | ASWHSDRLMXLCCJ-UGKGYDQZSA-N |