rel-(5R,8S)-10-(2,5-dimethylbenzene-1-sulfonyl)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine
Chemical Structure Depiction of
rel-(5R,8S)-10-(2,5-dimethylbenzene-1-sulfonyl)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine
rel-(5R,8S)-10-(2,5-dimethylbenzene-1-sulfonyl)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine
Compound characteristics
| Compound ID: | S572-0634 |
| Compound Name: | rel-(5R,8S)-10-(2,5-dimethylbenzene-1-sulfonyl)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine |
| Molecular Weight: | 423.51 |
| Molecular Formula: | C23 H22 F N3 O2 S |
| Smiles: | Cc1ccc(C)c(c1)S(N1[C@H]2CC[C@@H]1c1cnc(c3ccc(cc3)F)nc1C2)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.7002 |
| logD: | 4.7002 |
| logSw: | -4.3634 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.25 |
| InChI Key: | FDLQECCCHFQARM-NQIIRXRSSA-N |