2-(3-methylphenoxy)-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
2-(3-methylphenoxy)-1-[rel-(5R,8S)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]ethan-1-one
2-(3-methylphenoxy)-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: | S572-0505 |
| Compound Name: | 2-(3-methylphenoxy)-1-[rel-(5R,8S)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]ethan-1-one |
| Molecular Weight: | 385.46 |
| Molecular Formula: | C24 H23 N3 O2 |
| Smiles: | Cc1cccc(c1)OCC(N1[C@H]2CC[C@@H]1c1cnc(c3ccccc3)nc1C2)=O |
| Stereo: | RELATIVE |
| logP: | 3.9241 |
| logD: | 3.924 |
| logSw: | -3.9091 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.605 |
| InChI Key: | AQPWPCQTBPJOGA-GCJKJVERSA-N |