rel-(4aR,8aS)-6-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-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-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-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-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-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: | S808-0200 |
Compound Name: | rel-(4aR,8aS)-6-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-1-(2-methoxyethyl)-4a-(morpholine-4-carbonyl)octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-2,2(1H)-dione |
Molecular Weight: | 483.59 |
Molecular Formula: | C21 H33 N5 O6 S |
Smiles: | [H][C@@]12CCN(C[C@]1(CCS(N2CCOC)(=O)=O)C(N1CCOCC1)=O)C(c1cc(C)n(C)n1)=O |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | -1.1832 |
logD: | -1.1832 |
logSw: | -1.3347 |
Hydrogen bond acceptors count: | 12 |
Polar surface area: | 95.743 |
InChI Key: | BJHQRJAMYVEHOI-NQIIRXRSSA-N |