(3-methylphenyl)[rel-(5R,8S)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]methanone
Chemical Structure Depiction of
(3-methylphenyl)[rel-(5R,8S)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]methanone
(3-methylphenyl)[rel-(5R,8S)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]methanone
Compound characteristics
| Compound ID: | S572-0417 |
| Compound Name: | (3-methylphenyl)[rel-(5R,8S)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-10-yl]methanone |
| Molecular Weight: | 355.44 |
| Molecular Formula: | C23 H21 N3 O |
| Smiles: | Cc1cccc(c1)C(N1[C@H]2CC[C@@H]1c1cnc(c3ccccc3)nc1C2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.8522 |
| logD: | 3.8522 |
| logSw: | -3.859 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 35.633 |
| InChI Key: | QHGREXPBWVOQOU-NQIIRXRSSA-N |