ethyl 2-[2-({5-[(3,4-dimethylbenzamido)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-({5-[(3,4-dimethylbenzamido)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
ethyl 2-[2-({5-[(3,4-dimethylbenzamido)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | K403-0627 |
| Compound Name: | ethyl 2-[2-({5-[(3,4-dimethylbenzamido)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 527.66 |
| Molecular Formula: | C25 H29 N5 O4 S2 |
| Smiles: | CCOC(c1c2CCCc2sc1NC(CSc1nnc(CNC(c2ccc(C)c(C)c2)=O)n1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6886 |
| logD: | 1.6169 |
| logSw: | -4.1875 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.696 |
| InChI Key: | ZOPIBHZGEPRGBE-UHFFFAOYSA-N |