diethyl 5-{2-[(4-benzyl-5-{[2-(4-chlorophenoxy)acetamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 5-{2-[(4-benzyl-5-{[2-(4-chlorophenoxy)acetamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-3-methylthiophene-2,4-dicarboxylate
diethyl 5-{2-[(4-benzyl-5-{[2-(4-chlorophenoxy)acetamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | K403-1048 |
| Compound Name: | diethyl 5-{2-[(4-benzyl-5-{[2-(4-chlorophenoxy)acetamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 700.23 |
| Molecular Formula: | C32 H34 Cl N5 O7 S2 |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(C(C)Sc1nnc(CNC(COc2ccc(cc2)[Cl])=O)n1Cc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4124 |
| logD: | 3.2882 |
| logSw: | -6.0397 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 121.58 |
| InChI Key: | KFJSCEXZQXNNCY-FQEVSTJZSA-N |