[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl](1-methyl-1H-pyrazol-5-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](1-methyl-1H-pyrazol-5-yl)methanone
[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl](1-methyl-1H-pyrazol-5-yl)methanone
Compound characteristics
| Compound ID: | S572-0724 |
| Compound Name: | [rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl](1-methyl-1H-pyrazol-5-yl)methanone |
| Molecular Weight: | 363.39 |
| Molecular Formula: | C20 H18 F N5 O |
| Smiles: | Cn1c(ccn1)C(N1[C@H]2CC[C@@H]1c1cnc(c3ccc(cc3)F)nc1C2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1426 |
| logD: | 2.1426 |
| logSw: | -2.5137 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.283 |
| InChI Key: | BTLIULJRBFWUTG-YOEHRIQHSA-N |