(3,4-dimethoxyphenyl)[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]methanone
Chemical Structure Depiction of
(3,4-dimethoxyphenyl)[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]methanone
(3,4-dimethoxyphenyl)[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]methanone
Compound characteristics
| Compound ID: | S572-0669 |
| Compound Name: | (3,4-dimethoxyphenyl)[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]methanone |
| Molecular Weight: | 419.45 |
| Molecular Formula: | C24 H22 F N3 O3 |
| Smiles: | COc1ccc(cc1OC)C(N1[C@H]2CC[C@@H]1c1cnc(c3ccc(cc3)F)nc1C2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.2395 |
| logD: | 3.2395 |
| logSw: | -3.1611 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.894 |
| InChI Key: | WFOHWWVJEDDIMH-PXNSSMCTSA-N |