rel-(4aR,8aS)-1-(2-methoxyethyl)-4a-(morpholine-4-carbonyl)-6-{[1-(propan-2-yl)-1H-pyrazol-4-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-{[1-(propan-2-yl)-1H-pyrazol-4-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-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-2,2(1H)-dione
Compound characteristics
| Compound ID: | S808-0298 |
| Compound Name: | rel-(4aR,8aS)-1-(2-methoxyethyl)-4a-(morpholine-4-carbonyl)-6-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-2,2(1H)-dione |
| Molecular Weight: | 483.63 |
| Molecular Formula: | C22 H37 N5 O5 S |
| Smiles: | [H][C@@]12CCN(Cc3cnn(c3)C(C)C)C[C@]1(CCS(N2CCOC)(=O)=O)C(N1CCOCC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.3506 |
| logD: | -5.3422 |
| logSw: | -1.1201 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.302 |
| InChI Key: | CIGSPLQWEPJSDV-IRLDBZIGSA-N |