ethyl 2-{2-[(5-{[2-(4-chlorophenoxy)acetamido]methyl}-4-cyclohexyl-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-(4-chlorophenoxy)acetamido]methyl}-4-cyclohexyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
ethyl 2-{2-[(5-{[2-(4-chlorophenoxy)acetamido]methyl}-4-cyclohexyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | K403-0401 |
| Compound Name: | ethyl 2-{2-[(5-{[2-(4-chlorophenoxy)acetamido]methyl}-4-cyclohexyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 632.2 |
| Molecular Formula: | C29 H34 Cl N5 O5 S2 |
| Smiles: | CCOC(c1c2CCCc2sc1NC(CSc1nnc(CNC(COc2ccc(cc2)[Cl])=O)n1C1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.06 |
| logD: | 2.9883 |
| logSw: | -5.3115 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.476 |
| InChI Key: | YWKKIKOXGFRDRB-UHFFFAOYSA-N |