diethyl 3-methyl-5-[2-({4-methyl-5-[(4-nitrobenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]thiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 3-methyl-5-[2-({4-methyl-5-[(4-nitrobenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]thiophene-2,4-dicarboxylate
diethyl 3-methyl-5-[2-({4-methyl-5-[(4-nitrobenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]thiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | K403-0056 |
| Compound Name: | diethyl 3-methyl-5-[2-({4-methyl-5-[(4-nitrobenzamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]thiophene-2,4-dicarboxylate |
| Molecular Weight: | 590.63 |
| Molecular Formula: | C24 H26 N6 O8 S2 |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(CSc1nnc(CNC(c2ccc(cc2)[N+]([O-])=O)=O)n1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5066 |
| logD: | 0.6321 |
| logSw: | -2.7254 |
| Hydrogen bond acceptors count: | 17 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 148.544 |
| InChI Key: | BVQCPQQFXCLUOU-UHFFFAOYSA-N |