rel-(5R,8S)-10-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine
Chemical Structure Depiction of
rel-(5R,8S)-10-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine
rel-(5R,8S)-10-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine
Compound characteristics
| Compound ID: | S572-0723 |
| Compound Name: | rel-(5R,8S)-10-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-2-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine |
| Molecular Weight: | 414.46 |
| Molecular Formula: | C20 H19 F N4 O3 S |
| Smiles: | Cc1c(c(C)on1)S(N1[C@H]2CC[C@@H]1c1cnc(c3ccc(cc3)F)nc1C2)(=O)=O |
| Stereo: | RELATIVE |
| logP: | 2.6479 |
| logD: | 2.6479 |
| logSw: | -2.7691 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.288 |
| InChI Key: | QMVFEUJHPQSDSS-QAPCUYQASA-N |