rel-(4aR,8aR)-1-(2-methoxyethyl)-N-[(3-methyl-1H-pyrazol-4-yl)methyl]-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aR)-1-(2-methoxyethyl)-N-[(3-methyl-1H-pyrazol-4-yl)methyl]-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
rel-(4aR,8aR)-1-(2-methoxyethyl)-N-[(3-methyl-1H-pyrazol-4-yl)methyl]-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | S762-0684 |
| Compound Name: | rel-(4aR,8aR)-1-(2-methoxyethyl)-N-[(3-methyl-1H-pyrazol-4-yl)methyl]-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide |
| Molecular Weight: | 384.5 |
| Molecular Formula: | C17 H28 N4 O4 S |
| Smiles: | [H][C@@]12CCCC[C@]1(CCS(N2CCOC)(=O)=O)C(NCc1c[nH]nc1C)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.5044 |
| logD: | 0.5044 |
| logSw: | -1.7231 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.992 |
| InChI Key: | KQQAHXGPJYZDOB-RDJZCZTQSA-N |