rel-(4aR,8aR)-1-ethyl-2,2-dioxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]octahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aR)-1-ethyl-2,2-dioxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]octahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
rel-(4aR,8aR)-1-ethyl-2,2-dioxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]octahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | S762-0009 |
| Compound Name: | rel-(4aR,8aR)-1-ethyl-2,2-dioxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]octahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide |
| Molecular Weight: | 385.52 |
| Molecular Formula: | C18 H31 N3 O4 S |
| Smiles: | [H][C@@]12CCCC[C@]1(CCS(N2CC)(=O)=O)C(NCCCN1CCCC1=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.0885 |
| logD: | -0.0885 |
| logSw: | -1.7001 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.481 |
| InChI Key: | WZTJLQLLPWXIDE-YJBOKZPZSA-N |