rel-(4aR,8aR)-1-(2-methoxyethyl)-N-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aR)-1-(2-methoxyethyl)-N-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
rel-(4aR,8aR)-1-(2-methoxyethyl)-N-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | S762-0418 |
| Compound Name: | rel-(4aR,8aR)-1-(2-methoxyethyl)-N-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]-2,2-dioxooctahydro-2lambda~6~,1-benzothiazine-4a(2H)-carboxamide |
| Molecular Weight: | 448.58 |
| Molecular Formula: | C22 H32 N4 O4 S |
| Smiles: | [H][C@@]12CCCC[C@]1(CCS(N2CCOC)(=O)=O)C(NCCc1nc2ccccc2n1C)=O |
| Stereo: | RELATIVE |
| logP: | 1.3756 |
| logD: | 1.3062 |
| logSw: | -2.2092 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.552 |
| InChI Key: | RUEUTMPOLICGGK-UGKGYDQZSA-N |