ethyl 2-{2-[(5-{[2-(4-methoxyphenyl)acetamido]methyl}-4-methyl-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-methoxyphenyl)acetamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
ethyl 2-{2-[(5-{[2-(4-methoxyphenyl)acetamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | K403-0951 |
| Compound Name: | ethyl 2-{2-[(5-{[2-(4-methoxyphenyl)acetamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 557.69 |
| Molecular Formula: | C26 H31 N5 O5 S2 |
| Smiles: | CCOC(c1c2CCCc2sc1NC(C(C)Sc1nnc(CNC(Cc2ccc(cc2)OC)=O)n1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1367 |
| logD: | 0.8144 |
| logSw: | -3.5095 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.24 |
| InChI Key: | OUNKWFPCGFYKBP-HNNXBMFYSA-N |