diethyl 5-[2-({5-[(2,4-dichlorobenzamido)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 5-[2-({5-[(2,4-dichlorobenzamido)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate
diethyl 5-[2-({5-[(2,4-dichlorobenzamido)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | K403-0101 |
| Compound Name: | diethyl 5-[2-({5-[(2,4-dichlorobenzamido)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 614.53 |
| Molecular Formula: | C24 H25 Cl2 N5 O6 S2 |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(CSc1nnc(CNC(c2ccc(cc2[Cl])[Cl])=O)n1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0542 |
| logD: | 2.1797 |
| logSw: | -4.7322 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 115.163 |
| InChI Key: | RZRNTLBJHAOERF-UHFFFAOYSA-N |