diethyl 5-[2-({4-butyl-5-[(4-methyl-3-nitrobenzamido)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-[(4-methyl-3-nitrobenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate
diethyl 5-[2-({4-butyl-5-[(4-methyl-3-nitrobenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | K403-0132 |
| Compound Name: | diethyl 5-[2-({4-butyl-5-[(4-methyl-3-nitrobenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 646.74 |
| Molecular Formula: | C28 H34 N6 O8 S2 |
| Smiles: | CCCCn1c(CNC(c2ccc(C)c(c2)[N+]([O-])=O)=O)nnc1SCC(Nc1c(C(=O)OCC)c(C)c(C(=O)OCC)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4192 |
| logD: | 2.5447 |
| logSw: | -4.3108 |
| Hydrogen bond acceptors count: | 17 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 147.412 |
| InChI Key: | OTWKBHXWELVQED-UHFFFAOYSA-N |