ethyl 2-(2-{[4-(4-ethoxyphenyl)-5-{[2-(4-methoxyphenyl)acetamido]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-{[4-(4-ethoxyphenyl)-5-{[2-(4-methoxyphenyl)acetamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}propanamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
ethyl 2-(2-{[4-(4-ethoxyphenyl)-5-{[2-(4-methoxyphenyl)acetamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}propanamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | K403-0957 |
| Compound Name: | ethyl 2-(2-{[4-(4-ethoxyphenyl)-5-{[2-(4-methoxyphenyl)acetamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}propanamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 663.82 |
| Molecular Formula: | C33 H37 N5 O6 S2 |
| Smiles: | CCOC(c1c2CCCc2sc1NC(C(C)Sc1nnc(CNC(Cc2ccc(cc2)OC)=O)n1c1ccc(cc1)OCC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0783 |
| logD: | 2.8476 |
| logSw: | -4.8837 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.025 |
| InChI Key: | HVSNXJRPTSIXNZ-FQEVSTJZSA-N |