1-[rel-(5R,8S)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(5R,8S)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]ethan-1-one
1-[rel-(5R,8S)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]ethan-1-one
Compound characteristics
| Compound ID: | S572-0528 |
| Compound Name: | 1-[rel-(5R,8S)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]ethan-1-one |
| Molecular Weight: | 279.34 |
| Molecular Formula: | C17 H17 N3 O |
| Smiles: | CC(N1[C@H]2CC[C@@H]1c1cnc(c3ccccc3)nc1C2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1739 |
| logD: | 2.1739 |
| logSw: | -2.4072 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 36.372 |
| InChI Key: | FWZBHSZRKVQGFW-CJNGLKHVSA-N |