rel-(5R,8S)-2-(4-fluorophenyl)-10-(propane-1-sulfonyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine
Chemical Structure Depiction of
rel-(5R,8S)-2-(4-fluorophenyl)-10-(propane-1-sulfonyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine
rel-(5R,8S)-2-(4-fluorophenyl)-10-(propane-1-sulfonyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine
Compound characteristics
| Compound ID: | S572-0591 |
| Compound Name: | rel-(5R,8S)-2-(4-fluorophenyl)-10-(propane-1-sulfonyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine |
| Molecular Weight: | 361.44 |
| Molecular Formula: | C18 H20 F N3 O2 S |
| Smiles: | CCCS(N1[C@H]2CC[C@@H]1c1cnc(c3ccc(cc3)F)nc1C2)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.938 |
| logD: | 2.938 |
| logSw: | -3.1071 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.415 |
| InChI Key: | HFLGIWCAOJXHCM-PBHICJAKSA-N |