diethyl 5-[2-({4-cyclohexyl-5-[(4-nitrobenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 5-[2-({4-cyclohexyl-5-[(4-nitrobenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate
diethyl 5-[2-({4-cyclohexyl-5-[(4-nitrobenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | K403-0084 |
| Compound Name: | diethyl 5-[2-({4-cyclohexyl-5-[(4-nitrobenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 658.75 |
| Molecular Formula: | C29 H34 N6 O8 S2 |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(CSc1nnc(CNC(c2ccc(cc2)[N+]([O-])=O)=O)n1C1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3774 |
| logD: | 2.5028 |
| logSw: | -4.3375 |
| Hydrogen bond acceptors count: | 17 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 148.039 |
| InChI Key: | DFMMNDZSXGBPOI-UHFFFAOYSA-N |