rel-(5R,8S)-N-(4-methoxy-2-methylphenyl)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carboxamide
Chemical Structure Depiction of
rel-(5R,8S)-N-(4-methoxy-2-methylphenyl)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carboxamide
rel-(5R,8S)-N-(4-methoxy-2-methylphenyl)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carboxamide
Compound characteristics
| Compound ID: | S572-0377 |
| Compound Name: | rel-(5R,8S)-N-(4-methoxy-2-methylphenyl)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carboxamide |
| Molecular Weight: | 338.41 |
| Molecular Formula: | C19 H22 N4 O2 |
| Smiles: | Cc1cc(ccc1NC(N1[C@H]2CC[C@@H]1c1cnc(C)nc1C2)=O)OC |
| Stereo: | RELATIVE |
| logP: | 2.4748 |
| logD: | 2.4748 |
| logSw: | -2.8543 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.184 |
| InChI Key: | VCLWRNYRIWRTGA-ACJLOTCBSA-N |