rel-(4aR,8aS)-6-[(3-fluoropyridin-4-yl)methyl]-1-(2-methoxyethyl)-4a-(morpholine-4-carbonyl)octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-2,2(1H)-dione
Chemical Structure Depiction of
rel-(4aR,8aS)-6-[(3-fluoropyridin-4-yl)methyl]-1-(2-methoxyethyl)-4a-(morpholine-4-carbonyl)octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-2,2(1H)-dione
rel-(4aR,8aS)-6-[(3-fluoropyridin-4-yl)methyl]-1-(2-methoxyethyl)-4a-(morpholine-4-carbonyl)octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-2,2(1H)-dione
Compound characteristics
| Compound ID: | S808-0231 |
| Compound Name: | rel-(4aR,8aS)-6-[(3-fluoropyridin-4-yl)methyl]-1-(2-methoxyethyl)-4a-(morpholine-4-carbonyl)octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-2,2(1H)-dione |
| Molecular Weight: | 470.56 |
| Molecular Formula: | C21 H31 F N4 O5 S |
| Smiles: | [H][C@@]12CCN(Cc3ccncc3F)C[C@]1(CCS(N2CCOC)(=O)=O)C(N1CCOCC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.204 |
| logD: | -0.2105 |
| logSw: | -1.4716 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 77.859 |
| InChI Key: | UCBMTXDOEBJMPX-CTNGQTDRSA-N |