ethyl 3-methyl-5-{3-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-sulfonyl}-1-benzofuran-2-carboxylate
Chemical Structure Depiction of
ethyl 3-methyl-5-{3-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-sulfonyl}-1-benzofuran-2-carboxylate
ethyl 3-methyl-5-{3-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-sulfonyl}-1-benzofuran-2-carboxylate
Compound characteristics
| Compound ID: | T501-0055 |
| Compound Name: | ethyl 3-methyl-5-{3-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-sulfonyl}-1-benzofuran-2-carboxylate |
| Molecular Weight: | 446.52 |
| Molecular Formula: | C21 H26 N4 O5 S |
| Smiles: | CCOC(c1c(C)c2cc(ccc2o1)S(N1CCCC(Cc2nncn2C)C1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7635 |
| logD: | 2.7634 |
| logSw: | -3.2141 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 87.051 |
| InChI Key: | GNXLQEQFBKQXBB-OAHLLOKOSA-N |