diethyl 5-{2-[(5-{[2-(4-chlorophenoxy)acetamido]methyl}-4-cyclohexyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 5-{2-[(5-{[2-(4-chlorophenoxy)acetamido]methyl}-4-cyclohexyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-3-methylthiophene-2,4-dicarboxylate
diethyl 5-{2-[(5-{[2-(4-chlorophenoxy)acetamido]methyl}-4-cyclohexyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | K403-0402 |
| Compound Name: | diethyl 5-{2-[(5-{[2-(4-chlorophenoxy)acetamido]methyl}-4-cyclohexyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 678.23 |
| Molecular Formula: | C30 H36 Cl N5 O7 S2 |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(CSc1nnc(CNC(COc2ccc(cc2)[Cl])=O)n1C1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9383 |
| logD: | 3.0637 |
| logSw: | -5.0612 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 121.943 |
| InChI Key: | OYZLHZMWZFGGEH-UHFFFAOYSA-N |