diethyl 5-[2-({5-[(2-fluorobenzamido)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-fluorobenzamido)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate
diethyl 5-[2-({5-[(2-fluorobenzamido)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | K403-0698 |
| Compound Name: | diethyl 5-[2-({5-[(2-fluorobenzamido)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 563.63 |
| Molecular Formula: | C24 H26 F N5 O6 S2 |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(CSc1nnc(CNC(c2ccccc2F)=O)n1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8617 |
| logD: | 0.9871 |
| logSw: | -3.5215 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 115.163 |
| InChI Key: | OHGGRPXJSOBBCB-UHFFFAOYSA-N |