rel-(4aR,8aS)-6-(2,5-dimethylfuran-3-carbonyl)-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-(2,5-dimethylfuran-3-carbonyl)-1-methyl-4a-(pyrrolidine-1-carbonyl)octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-2,2(1H)-dione
rel-(4aR,8aS)-6-(2,5-dimethylfuran-3-carbonyl)-1-methyl-4a-(pyrrolidine-1-carbonyl)octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-2,2(1H)-dione
Compound characteristics
| Compound ID: | S808-0644 |
| Compound Name: | rel-(4aR,8aS)-6-(2,5-dimethylfuran-3-carbonyl)-1-methyl-4a-(pyrrolidine-1-carbonyl)octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-2,2(1H)-dione |
| Molecular Weight: | 423.53 |
| Molecular Formula: | C20 H29 N3 O5 S |
| Smiles: | [H][C@@]12CCN(C[C@]1(CCS(N2C)(=O)=O)C(N1CCCC1)=O)C(c1cc(C)oc1C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9822 |
| logD: | 0.9822 |
| logSw: | -2.0779 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.146 |
| InChI Key: | YJQIQBDHCJYYAV-XLIONFOSSA-N |