[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl](2-methoxyphenyl)methanone
Chemical Structure Depiction of
[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl](2-methoxyphenyl)methanone
[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl](2-methoxyphenyl)methanone
Compound characteristics
| Compound ID: | S572-0602 |
| Compound Name: | [rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl](2-methoxyphenyl)methanone |
| Molecular Weight: | 389.43 |
| Molecular Formula: | C23 H20 F N3 O2 |
| Smiles: | COc1ccccc1C(N1[C@H]2CC[C@@H]1c1cnc(c3ccc(cc3)F)nc1C2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.5621 |
| logD: | 3.5621 |
| logSw: | -3.6391 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.263 |
| InChI Key: | XQWNSFZFMZLINO-JXFKEZNVSA-N |