rel-(5R,8S)-N-(2,4-difluorophenyl)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carboxamide
Chemical Structure Depiction of
rel-(5R,8S)-N-(2,4-difluorophenyl)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carboxamide
rel-(5R,8S)-N-(2,4-difluorophenyl)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carboxamide
Compound characteristics
| Compound ID: | S572-0350 |
| Compound Name: | rel-(5R,8S)-N-(2,4-difluorophenyl)-2-methyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine-10-carboxamide |
| Molecular Weight: | 330.34 |
| Molecular Formula: | C17 H16 F2 N4 O |
| Smiles: | Cc1ncc2c(C[C@@H]3CC[C@H]2N3C(Nc2ccc(cc2F)F)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3612 |
| logD: | 2.3612 |
| logSw: | -2.8878 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.64 |
| InChI Key: | UFGIVDDUFQRMTK-BZNIZROVSA-N |