2-(4-fluorophenoxy)-1-[rel-(5R,8S)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]ethan-1-one
Chemical Structure Depiction of
2-(4-fluorophenoxy)-1-[rel-(5R,8S)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]ethan-1-one
2-(4-fluorophenoxy)-1-[rel-(5R,8S)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]ethan-1-one
Compound characteristics
| Compound ID: | S572-0247 |
| Compound Name: | 2-(4-fluorophenoxy)-1-[rel-(5R,8S)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]ethan-1-one |
| Molecular Weight: | 327.36 |
| Molecular Formula: | C18 H18 F N3 O2 |
| Smiles: | Cc1ncc2c(C[C@@H]3CC[C@H]2N3C(COc2ccc(cc2)F)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6265 |
| logD: | 1.6265 |
| logSw: | -1.7257 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.489 |
| InChI Key: | ZAAXXQFFMJSMDQ-DYVFJYSZSA-N |