rel-(4aR,8aR)-1-(2-methoxyethyl)-N-methyl-2,2-dioxo-N-[2-(pyridin-2-yl)ethyl]octahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aR)-1-(2-methoxyethyl)-N-methyl-2,2-dioxo-N-[2-(pyridin-2-yl)ethyl]octahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
rel-(4aR,8aR)-1-(2-methoxyethyl)-N-methyl-2,2-dioxo-N-[2-(pyridin-2-yl)ethyl]octahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | S762-0375 |
| Compound Name: | rel-(4aR,8aR)-1-(2-methoxyethyl)-N-methyl-2,2-dioxo-N-[2-(pyridin-2-yl)ethyl]octahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide |
| Molecular Weight: | 409.55 |
| Molecular Formula: | C20 H31 N3 O4 S |
| Smiles: | [H][C@@]12CCCC[C@]1(CCS(N2CCOC)(=O)=O)C(N(C)CCc1ccccn1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9463 |
| logD: | 0.9394 |
| logSw: | -1.9923 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.982 |
| InChI Key: | XOVBOHJHJBBPNR-ICSRJNTNSA-N |