rel-(4aR,8aR)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-methoxyethyl)-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aR)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-methoxyethyl)-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
rel-(4aR,8aR)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-methoxyethyl)-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | S762-0698 |
| Compound Name: | rel-(4aR,8aR)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-methoxyethyl)-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide |
| Molecular Weight: | 399.51 |
| Molecular Formula: | C18 H29 N3 O5 S |
| Smiles: | [H][C@@]12CCCC[C@]1(CCS(N2CCOC)(=O)=O)C(NCc1c(C)noc1C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0131 |
| logD: | 1.0131 |
| logSw: | -1.8943 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.762 |
| InChI Key: | WJIDURCYRRPRHC-WMZOPIPTSA-N |