rel-(5R,8S)-10-(4-fluoro-3-methylbenzene-1-sulfonyl)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine
Chemical Structure Depiction of
rel-(5R,8S)-10-(4-fluoro-3-methylbenzene-1-sulfonyl)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine
rel-(5R,8S)-10-(4-fluoro-3-methylbenzene-1-sulfonyl)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine
Compound characteristics
| Compound ID: | S572-0451 |
| Compound Name: | rel-(5R,8S)-10-(4-fluoro-3-methylbenzene-1-sulfonyl)-2-phenyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine |
| Molecular Weight: | 409.48 |
| Molecular Formula: | C22 H20 F N3 O2 S |
| Smiles: | Cc1cc(ccc1F)S(N1[C@H]2CC[C@@H]1c1cnc(c3ccccc3)nc1C2)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.2696 |
| logD: | 4.2696 |
| logSw: | -4.2737 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.25 |
| InChI Key: | NODMXWZOHHBCGW-IERDGZPVSA-N |