rel-(4aR,8aS)-N,1-dimethyl-2,2-dioxo-6-[(pyridin-3-yl)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-[(pyridin-3-yl)methyl]octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-4a(2H)-carboxamide
rel-(4aR,8aS)-N,1-dimethyl-2,2-dioxo-6-[(pyridin-3-yl)methyl]octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | S808-0445 |
| Compound Name: | rel-(4aR,8aS)-N,1-dimethyl-2,2-dioxo-6-[(pyridin-3-yl)methyl]octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-4a(2H)-carboxamide |
| Molecular Weight: | 352.45 |
| Molecular Formula: | C16 H24 N4 O3 S |
| Smiles: | [H][C@@]12CCN(Cc3cccnc3)C[C@]1(CCS(N2C)(=O)=O)C(NC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.7358 |
| logD: | -0.7805 |
| logSw: | -1.5024 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.822 |
| InChI Key: | BZQDUDKZVPEGCI-ZBFHGGJFSA-N |