propan-2-yl 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
propan-2-yl 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
propan-2-yl 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: | Y502-6534 |
| Compound Name: | propan-2-yl 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: | 475.59 |
| Molecular Formula: | C21 H25 N5 O4 S2 |
| Smiles: | CC(C)OC(c1c2CCCCc2sc1NC(CSc1nnc(Cn2ccc(C)n2)o1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7531 |
| logD: | 0.7019 |
| logSw: | -3.1201 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.493 |
| InChI Key: | OUNMCROIYZWHBK-UHFFFAOYSA-N |