ethyl 2-[2-({4-butyl-5-[(4-nitrobenzamido)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-({4-butyl-5-[(4-nitrobenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
ethyl 2-[2-({4-butyl-5-[(4-nitrobenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | K403-0079 |
| Compound Name: | ethyl 2-[2-({4-butyl-5-[(4-nitrobenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 586.69 |
| Molecular Formula: | C26 H30 N6 O6 S2 |
| Smiles: | CCCCn1c(CNC(c2ccc(cc2)[N+]([O-])=O)=O)nnc1SCC(Nc1c(C(=O)OCC)c2CCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1185 |
| logD: | 2.0468 |
| logSw: | -4.1351 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 127.246 |
| InChI Key: | LCOVYKKHAMWVKX-UHFFFAOYSA-N |