rel-(4aR,8aS)-1-(2-methoxyethyl)-6-[(3-methylthiophen-2-yl)methyl]-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)-1-(2-methoxyethyl)-6-[(3-methylthiophen-2-yl)methyl]-4a-(morpholine-4-carbonyl)octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-2,2(1H)-dione
rel-(4aR,8aS)-1-(2-methoxyethyl)-6-[(3-methylthiophen-2-yl)methyl]-4a-(morpholine-4-carbonyl)octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-2,2(1H)-dione
Compound characteristics
| Compound ID: | S808-0221 |
| Compound Name: | rel-(4aR,8aS)-1-(2-methoxyethyl)-6-[(3-methylthiophen-2-yl)methyl]-4a-(morpholine-4-carbonyl)octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-2,2(1H)-dione |
| Molecular Weight: | 471.64 |
| Molecular Formula: | C21 H33 N3 O5 S2 |
| Smiles: | [H][C@@]12CCN(Cc3c(C)ccs3)C[C@]1(CCS(N2CCOC)(=O)=O)C(N1CCOCC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8391 |
| logD: | 0.772 |
| logSw: | -1.992 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 69.359 |
| InChI Key: | VLVIXLFAHVQKDK-CTNGQTDRSA-N |