rel-(4aR,8aS)-N,1-dimethyl-2,2-dioxo-6-({4-[(propan-2-yl)oxy]phenyl}methyl)octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aS)-N,1-dimethyl-2,2-dioxo-6-({4-[(propan-2-yl)oxy]phenyl}methyl)octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-4a(2H)-carboxamide
rel-(4aR,8aS)-N,1-dimethyl-2,2-dioxo-6-({4-[(propan-2-yl)oxy]phenyl}methyl)octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | S808-0501 |
| Compound Name: | rel-(4aR,8aS)-N,1-dimethyl-2,2-dioxo-6-({4-[(propan-2-yl)oxy]phenyl}methyl)octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-4a(2H)-carboxamide |
| Molecular Weight: | 409.55 |
| Molecular Formula: | C20 H31 N3 O4 S |
| Smiles: | [H][C@@]12CCN(Cc3ccc(cc3)OC(C)C)C[C@]1(CCS(N2C)(=O)=O)C(NC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2439 |
| logD: | 1.1433 |
| logSw: | -2.4037 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.106 |
| InChI Key: | NXRUAJAUODGDMA-QUCCMNQESA-N |