diethyl 5-[2-({4-butyl-5-[(2-chloro-6-fluorobenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 5-[2-({4-butyl-5-[(2-chloro-6-fluorobenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate
diethyl 5-[2-({4-butyl-5-[(2-chloro-6-fluorobenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | K403-0160 |
| Compound Name: | diethyl 5-[2-({4-butyl-5-[(2-chloro-6-fluorobenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 640.15 |
| Molecular Formula: | C27 H31 Cl F N5 O6 S2 |
| Smiles: | CCCCn1c(CNC(c2c(cccc2[Cl])F)=O)nnc1SCC(Nc1c(C(=O)OCC)c(C)c(C(=O)OCC)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5278 |
| logD: | 2.6533 |
| logSw: | -4.8331 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.331 |
| InChI Key: | WIRUTHNHKFNSES-UHFFFAOYSA-N |