rel-(5R,8S)-N-(3,4-dimethylphenyl)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carboxamide
Chemical Structure Depiction of
rel-(5R,8S)-N-(3,4-dimethylphenyl)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carboxamide
rel-(5R,8S)-N-(3,4-dimethylphenyl)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carboxamide
Compound characteristics
| Compound ID: | S572-0335 |
| Compound Name: | rel-(5R,8S)-N-(3,4-dimethylphenyl)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carboxamide |
| Molecular Weight: | 322.41 |
| Molecular Formula: | C19 H22 N4 O |
| Smiles: | Cc1ccc(cc1C)NC(N1[C@H]2CC[C@@H]1c1cnc(C)nc1C2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.0367 |
| logD: | 3.0367 |
| logSw: | -3.0302 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.338 |
| InChI Key: | DPPRHKVOBVYSPH-QAPCUYQASA-N |