2-cyclopentyl-1-[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]ethan-1-one
Chemical Structure Depiction of
2-cyclopentyl-1-[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]ethan-1-one
2-cyclopentyl-1-[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]ethan-1-one
Compound characteristics
| Compound ID: | S572-0672 |
| Compound Name: | 2-cyclopentyl-1-[rel-(5R,8S)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]ethan-1-one |
| Molecular Weight: | 365.45 |
| Molecular Formula: | C22 H24 F N3 O |
| Smiles: | C1CCC(C1)CC(N1[C@H]2CC[C@@H]1c1cnc(c3ccc(cc3)F)nc1C2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.0428 |
| logD: | 4.0428 |
| logSw: | -4.2465 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 35.664 |
| InChI Key: | YYCYLQAZWHPIRZ-PXNSSMCTSA-N |