ethyl 6-ethyl-2-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-ethyl-2-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-ethyl-2-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8010-3685 |
| Compound Name: | ethyl 6-ethyl-2-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 408.54 |
| Molecular Formula: | C18 H24 N4 O3 S2 |
| Smiles: | CCC1CCc2c(C(=O)OCC)c(NC(CSc3nncn3C)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.267 |
| logD: | 1.2158 |
| logSw: | -3.5398 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.35 |
| InChI Key: | GNFINIQAIKESNX-LLVKDONJSA-N |