rel-(4aR,8aS)-1-(2-methoxyethyl)-6-(5-methylthiophene-2-carbonyl)-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-(5-methylthiophene-2-carbonyl)-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-(5-methylthiophene-2-carbonyl)-4a-(morpholine-4-carbonyl)octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-2,2(1H)-dione
Compound characteristics
| Compound ID: | S808-0153 |
| Compound Name: | rel-(4aR,8aS)-1-(2-methoxyethyl)-6-(5-methylthiophene-2-carbonyl)-4a-(morpholine-4-carbonyl)octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-2,2(1H)-dione |
| Molecular Weight: | 485.62 |
| Molecular Formula: | C21 H31 N3 O6 S2 |
| Smiles: | [H][C@@]12CCN(C[C@]1(CCS(N2CCOC)(=O)=O)C(N1CCOCC1)=O)C(c1ccc(C)s1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.7711 |
| logD: | 0.7711 |
| logSw: | -2.0096 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.275 |
| InChI Key: | IWNLNLXFQWEGFW-NQIIRXRSSA-N |