diethyl 5-[2-({4-(4-ethoxyphenyl)-5-[(3-fluorobenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 5-[2-({4-(4-ethoxyphenyl)-5-[(3-fluorobenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate
diethyl 5-[2-({4-(4-ethoxyphenyl)-5-[(3-fluorobenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | K403-0553 |
| Compound Name: | diethyl 5-[2-({4-(4-ethoxyphenyl)-5-[(3-fluorobenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 669.75 |
| Molecular Formula: | C31 H32 F N5 O7 S2 |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(CSc1nnc(CNC(c2cccc(c2)F)=O)n1c1ccc(cc1)OCC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6453 |
| logD: | 2.8614 |
| logSw: | -4.5225 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 121.948 |
| InChI Key: | FEHSDRVNDUKWDG-UHFFFAOYSA-N |