[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl](2-methylpyridin-3-yl)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-methylpyridin-3-yl)methanone
[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl](2-methylpyridin-3-yl)methanone
Compound characteristics
| Compound ID: | S572-0659 |
| Compound Name: | [rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl](2-methylpyridin-3-yl)methanone |
| Molecular Weight: | 374.42 |
| Molecular Formula: | C22 H19 F N4 O |
| Smiles: | Cc1c(cccn1)C(N1[C@H]2CC[C@@H]1c1cnc(c3ccc(cc3)F)nc1C2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.0154 |
| logD: | 3.0153 |
| logSw: | -3.0838 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.258 |
| InChI Key: | MWTHHZIVEXYESF-JXFKEZNVSA-N |