rel-(4aR,8aR)-N-(3-fluoro-4-methylphenyl)-1-(2-methoxyethyl)-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aR)-N-(3-fluoro-4-methylphenyl)-1-(2-methoxyethyl)-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
rel-(4aR,8aR)-N-(3-fluoro-4-methylphenyl)-1-(2-methoxyethyl)-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | S762-0674 |
| Compound Name: | rel-(4aR,8aR)-N-(3-fluoro-4-methylphenyl)-1-(2-methoxyethyl)-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide |
| Molecular Weight: | 398.5 |
| Molecular Formula: | C19 H27 F N2 O4 S |
| Smiles: | [H][C@@]12CCCC[C@]1(CCS(N2CCOC)(=O)=O)C(Nc1ccc(C)c(c1)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6443 |
| logD: | 2.6418 |
| logSw: | -3.1065 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.402 |
| InChI Key: | PGMRAAHPHLQNBT-HKUYNNGSSA-N |