ethyl 6-methyl-2-[2-({5-[(5-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-methyl-2-[2-({5-[(5-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-methyl-2-[2-({5-[(5-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: | Y502-9896 |
| Compound Name: | ethyl 6-methyl-2-[2-({5-[(5-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: | CCOC(c1c2CCC(C)Cc2sc1NC(CSc1nnc(Cn2c(C)ccn2)o1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6315 |
| logD: | 0.5802 |
| logSw: | -2.8362 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.683 |
| InChI Key: | KQVOCLLEIJRPQY-GFCCVEGCSA-N |