rel-(4aR,8aR)-1-ethyl-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxylic acid
Chemical Structure Depiction of
rel-(4aR,8aR)-1-ethyl-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxylic acid
rel-(4aR,8aR)-1-ethyl-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxylic acid
Compound characteristics
| Compound ID: | S762-0172 |
| Compound Name: | rel-(4aR,8aR)-1-ethyl-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxylic acid |
| Molecular Weight: | 261.34 |
| Molecular Formula: | C11 H19 N O4 S |
| Smiles: | [H][C@@]12CCCC[C@]1(CCS(N2CC)(=O)=O)C(O)=O |
| Stereo: | RELATIVE |
| logP: | 0.5348 |
| logD: | -1.7582 |
| logSw: | -1.3023 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.122 |
| InChI Key: | GLGNZIPWYGILLM-ONGXEEELSA-N |