diethyl 5-(2-{[5-{[2-(4-chlorophenoxy)acetamido]methyl}-4-(4-fluorophenyl)-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-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate
diethyl 5-(2-{[5-{[2-(4-chlorophenoxy)acetamido]methyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | K403-0387 |
| Compound Name: | diethyl 5-(2-{[5-{[2-(4-chlorophenoxy)acetamido]methyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 690.17 |
| Molecular Formula: | C30 H29 Cl F N5 O7 S2 |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(CSc1nnc(CNC(COc2ccc(cc2)[Cl])=O)n1c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6692 |
| logD: | 2.8853 |
| logSw: | -5.0348 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 122.11 |
| InChI Key: | UPDDUOKPQCZEPI-UHFFFAOYSA-N |