rel-(4aR,8aR)-1-ethyl-N-{3-[(1-ethylpiperidin-4-yl)oxy]propyl}-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aR)-1-ethyl-N-{3-[(1-ethylpiperidin-4-yl)oxy]propyl}-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
rel-(4aR,8aR)-1-ethyl-N-{3-[(1-ethylpiperidin-4-yl)oxy]propyl}-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | S762-0143 |
| Compound Name: | rel-(4aR,8aR)-1-ethyl-N-{3-[(1-ethylpiperidin-4-yl)oxy]propyl}-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide |
| Molecular Weight: | 429.62 |
| Molecular Formula: | C21 H39 N3 O4 S |
| Smiles: | [H][C@@]12CCCC[C@]1(CCS(N2CC)(=O)=O)C(NCCCOC1CCN(CC)CC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0158 |
| logD: | -1.3866 |
| logSw: | -1.8437 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.63 |
| InChI Key: | ZQTKBDJEJDSUDN-FPOVZHCZSA-N |