rel-(5R,8S)-N-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carboxamide
Chemical Structure Depiction of
rel-(5R,8S)-N-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carboxamide
rel-(5R,8S)-N-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carboxamide
Compound characteristics
| Compound ID: | S572-0016 |
| Compound Name: | rel-(5R,8S)-N-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carboxamide |
| Molecular Weight: | 280.33 |
| Molecular Formula: | C16 H16 N4 O |
| Smiles: | C1C[C@@H]2c3cncnc3C[C@H]1N2C(Nc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4199 |
| logD: | 1.4199 |
| logSw: | -1.5637 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.912 |
| InChI Key: | PVLHORJVCATEQX-DOMZBBRYSA-N |