ethyl 2-[2-({5-[(2-chloro-6-fluorobenzamido)methyl]-4-(2-methoxyphenyl)-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-[(2-chloro-6-fluorobenzamido)methyl]-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
ethyl 2-[2-({5-[(2-chloro-6-fluorobenzamido)methyl]-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | K403-0156 |
| Compound Name: | ethyl 2-[2-({5-[(2-chloro-6-fluorobenzamido)methyl]-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 644.14 |
| Molecular Formula: | C29 H27 Cl F N5 O5 S2 |
| Smiles: | CCOC(c1c2CCCc2sc1NC(CSc1nnc(CNC(c2c(cccc2[Cl])F)=O)n1c1ccccc1OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5089 |
| logD: | 2.5283 |
| logSw: | -4.8742 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.687 |
| InChI Key: | BQCOBZCLXYFGHJ-UHFFFAOYSA-N |