ethyl 6-ethyl-2-[2-({5-[(3-methyl-1H-pyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-ethyl-2-[2-({5-[(3-methyl-1H-pyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-ethyl-2-[2-({5-[(3-methyl-1H-pyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y502-6538 |
| Compound Name: | ethyl 6-ethyl-2-[2-({5-[(3-methyl-1H-pyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 489.61 |
| Molecular Formula: | C22 H27 N5 O4 S2 |
| Smiles: | CCC1CCc2c(C(=O)OCC)c(NC(CSc3nnc(Cn4ccc(C)n4)o3)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2223 |
| logD: | 1.1711 |
| logSw: | -3.461 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.814 |
| InChI Key: | YRAVSGTYFPLPKM-CQSZACIVSA-N |