rel-(5R,8S)-N-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carboxamide
Chemical Structure Depiction of
rel-(5R,8S)-N-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carboxamide
rel-(5R,8S)-N-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carboxamide
Compound characteristics
| Compound ID: | S572-0663 |
| Compound Name: | rel-(5R,8S)-N-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carboxamide |
| Molecular Weight: | 434.47 |
| Molecular Formula: | C24 H23 F N4 O3 |
| Smiles: | COc1ccc(cc1OC)NC(N1[C@H]2CC[C@@H]1c1cnc(c3ccc(cc3)F)nc1C2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.5536 |
| logD: | 3.5536 |
| logSw: | -3.598 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.715 |
| InChI Key: | SZEKKBNFSBBBIR-PXNSSMCTSA-N |