rel-(5R,8S)-10-(1-ethyl-1H-pyrazole-4-sulfonyl)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine
Chemical Structure Depiction of
rel-(5R,8S)-10-(1-ethyl-1H-pyrazole-4-sulfonyl)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine
rel-(5R,8S)-10-(1-ethyl-1H-pyrazole-4-sulfonyl)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine
Compound characteristics
| Compound ID: | S572-0739 |
| Compound Name: | rel-(5R,8S)-10-(1-ethyl-1H-pyrazole-4-sulfonyl)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine |
| Molecular Weight: | 413.47 |
| Molecular Formula: | C20 H20 F N5 O2 S |
| Smiles: | CCn1cc(cn1)S(N1[C@H]2CC[C@@H]1c1cnc(c3ccc(cc3)F)nc1C2)(=O)=O |
| Stereo: | RELATIVE |
| logP: | 2.3641 |
| logD: | 2.3641 |
| logSw: | -2.6114 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.751 |
| InChI Key: | NGYYPGMRRZBZPR-BEFAXECRSA-N |