rel-(4aR,8aR)-N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-1-(2-methoxyethyl)-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aR)-N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-1-(2-methoxyethyl)-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
rel-(4aR,8aR)-N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-1-(2-methoxyethyl)-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | S762-0699 |
| Compound Name: | rel-(4aR,8aR)-N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-1-(2-methoxyethyl)-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide |
| Molecular Weight: | 398.52 |
| Molecular Formula: | C18 H30 N4 O4 S |
| Smiles: | [H][C@@]12CCCC[C@]1(CCS(N2CCOC)(=O)=O)C(NCc1cc(C)nn1C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.1767 |
| logD: | 0.1767 |
| logSw: | -1.9053 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.527 |
| InChI Key: | WETUAEGZYYFNKO-WMZOPIPTSA-N |