rel-(5R,8S)-2-(4-fluorophenyl)-10-(pyridine-3-sulfonyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine
Chemical Structure Depiction of
rel-(5R,8S)-2-(4-fluorophenyl)-10-(pyridine-3-sulfonyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine
rel-(5R,8S)-2-(4-fluorophenyl)-10-(pyridine-3-sulfonyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine
Compound characteristics
| Compound ID: | S572-0640 |
| Compound Name: | rel-(5R,8S)-2-(4-fluorophenyl)-10-(pyridine-3-sulfonyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine |
| Molecular Weight: | 396.44 |
| Molecular Formula: | C20 H17 F N4 O2 S |
| Smiles: | C1C[C@@H]2c3cnc(c4ccc(cc4)F)nc3C[C@H]1N2S(c1cccnc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.7703 |
| logD: | 2.7703 |
| logSw: | -2.8754 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.767 |
| InChI Key: | BTBMMBZYLMVBSK-BEFAXECRSA-N |