diethyl 5-{2-[(5-{[2-(2,4-dichlorophenoxy)acetamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 5-{2-[(5-{[2-(2,4-dichlorophenoxy)acetamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-3-methylthiophene-2,4-dicarboxylate
diethyl 5-{2-[(5-{[2-(2,4-dichlorophenoxy)acetamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | K403-1055 |
| Compound Name: | diethyl 5-{2-[(5-{[2-(2,4-dichlorophenoxy)acetamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 658.58 |
| Molecular Formula: | C26 H29 Cl2 N5 O7 S2 |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(C(C)Sc1nnc(CNC(COc2ccc(cc2[Cl])[Cl])=O)n1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0465 |
| logD: | 1.9223 |
| logSw: | -4.6363 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 122.749 |
| InChI Key: | OCOLQTOYZQTYLT-AWEZNQCLSA-N |