[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl](1H-pyrazol-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](1H-pyrazol-3-yl)methanone
[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl](1H-pyrazol-3-yl)methanone
Compound characteristics
| Compound ID: | S572-0651 |
| Compound Name: | [rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl](1H-pyrazol-3-yl)methanone |
| Molecular Weight: | 349.37 |
| Molecular Formula: | C19 H16 F N5 O |
| Smiles: | C1C[C@@H]2c3cnc(c4ccc(cc4)F)nc3C[C@H]1N2C(c1cc[nH]n1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3498 |
| logD: | 2.3498 |
| logSw: | -2.759 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.235 |
| InChI Key: | JCXLNGIDSHVSLN-GUYCJALGSA-N |