rel-(4aR,8aR)-1-(2-methoxyethyl)-2,2-dioxo-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]octahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aR)-1-(2-methoxyethyl)-2,2-dioxo-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]octahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
rel-(4aR,8aR)-1-(2-methoxyethyl)-2,2-dioxo-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]octahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | S762-0629 |
| Compound Name: | rel-(4aR,8aR)-1-(2-methoxyethyl)-2,2-dioxo-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]octahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide |
| Molecular Weight: | 412.55 |
| Molecular Formula: | C19 H32 N4 O4 S |
| Smiles: | [H][C@@]12CCCC[C@]1(CCS(N2CCOC)(=O)=O)C(NCc1c(C)nn(C)c1C)=O |
| Stereo: | RELATIVE |
| logP: | 0.414 |
| logD: | 0.4139 |
| logSw: | -1.7215 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.563 |
| InChI Key: | DIRJMWYQEBHULQ-HKUYNNGSSA-N |