[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl](5-methylpyrazin-2-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](5-methylpyrazin-2-yl)methanone
[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl](5-methylpyrazin-2-yl)methanone
Compound characteristics
| Compound ID: | S572-0657 |
| Compound Name: | [rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl](5-methylpyrazin-2-yl)methanone |
| Molecular Weight: | 375.4 |
| Molecular Formula: | C21 H18 F N5 O |
| Smiles: | Cc1cnc(cn1)C(N1[C@H]2CC[C@@H]1c1cnc(c3ccc(cc3)F)nc1C2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4732 |
| logD: | 2.4732 |
| logSw: | -2.537 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.714 |
| InChI Key: | MXNQLDABXUPRAX-KXBFYZLASA-N |