diethyl 5-[2-({4-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-5-[(4-nitrobenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate
diethyl 5-[2-({4-(4-ethoxyphenyl)-5-[(4-nitrobenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | K403-0065 |
| Compound Name: | diethyl 5-[2-({4-(4-ethoxyphenyl)-5-[(4-nitrobenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 696.76 |
| Molecular Formula: | C31 H32 N6 O9 S2 |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(CSc1nnc(CNC(c2ccc(cc2)[N+]([O-])=O)=O)n1c1ccc(cc1)OCC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4483 |
| logD: | 2.6643 |
| logSw: | -4.3755 |
| Hydrogen bond acceptors count: | 18 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 155.33 |
| InChI Key: | KGYNMXNUFWBRQE-UHFFFAOYSA-N |