ethyl 2-(2-{[5-{[2-(2,4-dichlorophenoxy)acetamido]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-(2,4-dichlorophenoxy)acetamido]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-(2,4-dichlorophenoxy)acetamido]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: | K403-0412 |
| Compound Name: | ethyl 2-(2-{[5-{[2-(2,4-dichlorophenoxy)acetamido]methyl}-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 690.62 |
| Molecular Formula: | C30 H29 Cl2 N5 O6 S2 |
| Smiles: | CCOC(c1c2CCCc2sc1NC(CSc1nnc(CNC(COc2ccc(cc2[Cl])[Cl])=O)n1c1ccccc1OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9514 |
| logD: | 2.9709 |
| logSw: | -5.2174 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.059 |
| InChI Key: | MJYBFMAKAPZYOM-UHFFFAOYSA-N |