ethyl 2-(2-{[5-{[2-(4-chlorophenoxy)acetamido]methyl}-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(2-{[5-{[2-(4-chlorophenoxy)acetamido]methyl}-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
ethyl 2-(2-{[5-{[2-(4-chlorophenoxy)acetamido]methyl}-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | K403-1049 |
| Compound Name: | ethyl 2-(2-{[5-{[2-(4-chlorophenoxy)acetamido]methyl}-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 670.21 |
| Molecular Formula: | C31 H32 Cl N5 O6 S2 |
| Smiles: | CCOC(c1c2CCCc2sc1NC(C(C)Sc1nnc(CNC(COc2ccc(cc2)[Cl])=O)n1c1ccccc1OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.105 |
| logD: | 2.8742 |
| logSw: | -5.5219 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.186 |
| InChI Key: | XLHUPJWUGJRVAL-SFHVURJKSA-N |