rel-(4aR,8aS)-6-[(3,4-difluorophenyl)methyl]-1-methyl-4a-(pyrrolidine-1-carbonyl)octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-2,2(1H)-dione
Chemical Structure Depiction of
rel-(4aR,8aS)-6-[(3,4-difluorophenyl)methyl]-1-methyl-4a-(pyrrolidine-1-carbonyl)octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-2,2(1H)-dione
rel-(4aR,8aS)-6-[(3,4-difluorophenyl)methyl]-1-methyl-4a-(pyrrolidine-1-carbonyl)octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-2,2(1H)-dione
Compound characteristics
| Compound ID: | S808-0660 |
| Compound Name: | rel-(4aR,8aS)-6-[(3,4-difluorophenyl)methyl]-1-methyl-4a-(pyrrolidine-1-carbonyl)octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-2,2(1H)-dione |
| Molecular Weight: | 427.51 |
| Molecular Formula: | C20 H27 F2 N3 O3 S |
| Smiles: | [H][C@@]12CCN(Cc3ccc(c(c3)F)F)C[C@]1(CCS(N2C)(=O)=O)C(N1CCCC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7585 |
| logD: | 1.7234 |
| logSw: | -2.5771 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.483 |
| InChI Key: | XFQYQYWDRFSMNV-QUCCMNQESA-N |