rel-(4aR,8aS)-1-(2-methoxyethyl)-6-(1-methyl-1H-pyrazole-5-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-(1-methyl-1H-pyrazole-5-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-(1-methyl-1H-pyrazole-5-carbonyl)-4a-(morpholine-4-carbonyl)octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-2,2(1H)-dione
Compound characteristics
| Compound ID: | S808-0197 |
| Compound Name: | rel-(4aR,8aS)-1-(2-methoxyethyl)-6-(1-methyl-1H-pyrazole-5-carbonyl)-4a-(morpholine-4-carbonyl)octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-2,2(1H)-dione |
| Molecular Weight: | 469.56 |
| Molecular Formula: | C20 H31 N5 O6 S |
| Smiles: | [H][C@@]12CCN(C[C@]1(CCS(N2CCOC)(=O)=O)C(N1CCOCC1)=O)C(c1ccnn1C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -1.4505 |
| logD: | -1.4505 |
| logSw: | -1.7605 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 94.907 |
| InChI Key: | UBFHERUXFOIROO-XLIONFOSSA-N |