rel-(4aR,8aR)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-methoxyethyl)-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aR)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-methoxyethyl)-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
rel-(4aR,8aR)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-methoxyethyl)-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | S762-0320 |
| Compound Name: | rel-(4aR,8aR)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-methoxyethyl)-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide |
| Molecular Weight: | 424.51 |
| Molecular Formula: | C20 H28 N2 O6 S |
| Smiles: | [H][C@@]12CCCC[C@]1(CCS(N2CCOC)(=O)=O)C(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.9671 |
| logD: | 0.9666 |
| logSw: | -2.3559 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.225 |
| InChI Key: | IVUPDHYWMDDAJA-ICSRJNTNSA-N |