ethyl 6-methyl-2-[2-({5-[1-(3-methyl-1H-pyrazol-1-yl)ethyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-methyl-2-[2-({5-[1-(3-methyl-1H-pyrazol-1-yl)ethyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-methyl-2-[2-({5-[1-(3-methyl-1H-pyrazol-1-yl)ethyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y503-1640 |
| Compound Name: | ethyl 6-methyl-2-[2-({5-[1-(3-methyl-1H-pyrazol-1-yl)ethyl]-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: | CCOC(c1c2CCC(C)Cc2sc1NC(CSc1nnc(C(C)n2ccc(C)n2)o1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2612 |
| logD: | 1.21 |
| logSw: | -3.5294 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.953 |
| InChI Key: | ICZPDURWDMKKEW-UHFFFAOYSA-N |