methyl 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
methyl 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
methyl 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: | Y502-6533 |
| Compound Name: | methyl 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: | 447.53 |
| Molecular Formula: | C19 H21 N5 O4 S2 |
| Smiles: | Cc1ccn(Cc2nnc(o2)SCC(Nc2c(C(=O)OC)c3CCCCc3s2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.8606 |
| logD: | -0.1906 |
| logSw: | -2.5844 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.235 |
| InChI Key: | VYVSKGRKBOXGBS-UHFFFAOYSA-N |