diethyl 5-[2-({5-[(4-methoxybenzamido)methyl]-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 5-[2-({5-[(4-methoxybenzamido)methyl]-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate
diethyl 5-[2-({5-[(4-methoxybenzamido)methyl]-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | K403-0017 |
| Compound Name: | diethyl 5-[2-({5-[(4-methoxybenzamido)methyl]-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 682.73 |
| Molecular Formula: | C30 H30 N6 O9 S2 |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(CSc1nnc(CNC(c2ccc(cc2)OC)=O)n1c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0617 |
| logD: | 2.2777 |
| logSw: | -4.2951 |
| Hydrogen bond acceptors count: | 18 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 155.75 |
| InChI Key: | MMSOOSBIGILWHV-UHFFFAOYSA-N |