ethyl 5-acetyl-4-methyl-2-[2-({5-[(3-methyl-1H-pyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamido]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-acetyl-4-methyl-2-[2-({5-[(3-methyl-1H-pyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamido]thiophene-3-carboxylate
ethyl 5-acetyl-4-methyl-2-[2-({5-[(3-methyl-1H-pyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamido]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y502-7460 |
| Compound Name: | ethyl 5-acetyl-4-methyl-2-[2-({5-[(3-methyl-1H-pyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamido]thiophene-3-carboxylate |
| Molecular Weight: | 463.53 |
| Molecular Formula: | C19 H21 N5 O5 S2 |
| Smiles: | CCOC(c1c(C)c(C(C)=O)sc1NC(CSc1nnc(Cn2ccc(C)n2)o1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.108 |
| logD: | -1.4919 |
| logSw: | -2.363 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.72 |
| InChI Key: | KKHJCWVPNCRYBY-UHFFFAOYSA-N |