rel-(4aR,8aS)-1-(2-methoxyethyl)-4a-(morpholine-4-carbonyl)-6-[(pyridin-2-yl)methyl]octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-2,2(1H)-dione
Chemical Structure Depiction of
rel-(4aR,8aS)-1-(2-methoxyethyl)-4a-(morpholine-4-carbonyl)-6-[(pyridin-2-yl)methyl]octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-2,2(1H)-dione
rel-(4aR,8aS)-1-(2-methoxyethyl)-4a-(morpholine-4-carbonyl)-6-[(pyridin-2-yl)methyl]octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-2,2(1H)-dione
Compound characteristics
| Compound ID: | S808-0239 |
| Compound Name: | rel-(4aR,8aS)-1-(2-methoxyethyl)-4a-(morpholine-4-carbonyl)-6-[(pyridin-2-yl)methyl]octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-2,2(1H)-dione |
| Molecular Weight: | 452.57 |
| Molecular Formula: | C21 H32 N4 O5 S |
| Smiles: | [H][C@@]12CCN(Cc3ccccn3)C[C@]1(CCS(N2CCOC)(=O)=O)C(N1CCOCC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.5798 |
| logD: | -0.614 |
| logSw: | -1.7678 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 77.884 |
| InChI Key: | PGDFCAASHASUCK-CTNGQTDRSA-N |