ethyl 2-{2-[(4-benzyl-5-{[2-(4-chlorophenoxy)acetamido]methyl}-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-[(4-benzyl-5-{[2-(4-chlorophenoxy)acetamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
ethyl 2-{2-[(4-benzyl-5-{[2-(4-chlorophenoxy)acetamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | K403-0393 |
| Compound Name: | ethyl 2-{2-[(4-benzyl-5-{[2-(4-chlorophenoxy)acetamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 640.18 |
| Molecular Formula: | C30 H30 Cl N5 O5 S2 |
| Smiles: | CCOC(c1c2CCCc2sc1NC(CSc1nnc(CNC(COc2ccc(cc2)[Cl])=O)n1Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9679 |
| logD: | 2.8962 |
| logSw: | -5.1983 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.9 |
| InChI Key: | KHFZSZLRJYFKRU-UHFFFAOYSA-N |