rel-(5R,8S)-2-methyl-N-(3-methylphenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carboxamide
Chemical Structure Depiction of
rel-(5R,8S)-2-methyl-N-(3-methylphenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carboxamide
rel-(5R,8S)-2-methyl-N-(3-methylphenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carboxamide
Compound characteristics
| Compound ID: | S572-0286 |
| Compound Name: | rel-(5R,8S)-2-methyl-N-(3-methylphenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carboxamide |
| Molecular Weight: | 308.38 |
| Molecular Formula: | C18 H20 N4 O |
| Smiles: | Cc1cccc(c1)NC(N1[C@H]2CC[C@@H]1c1cnc(C)nc1C2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4092 |
| logD: | 2.4092 |
| logSw: | -2.7693 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.338 |
| InChI Key: | JMMUCOSNTKQXJV-PBHICJAKSA-N |