diethyl 3-methyl-5-(2-{[4-(4-nitrophenyl)-5-{[(thiophene-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)thiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 3-methyl-5-(2-{[4-(4-nitrophenyl)-5-{[(thiophene-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)thiophene-2,4-dicarboxylate
diethyl 3-methyl-5-(2-{[4-(4-nitrophenyl)-5-{[(thiophene-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)thiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | K403-0436 |
| Compound Name: | diethyl 3-methyl-5-(2-{[4-(4-nitrophenyl)-5-{[(thiophene-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)thiophene-2,4-dicarboxylate |
| Molecular Weight: | 658.73 |
| Molecular Formula: | C27 H26 N6 O8 S3 |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(CSc1nnc(CNC(c2cccs2)=O)n1c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9142 |
| logD: | 2.1303 |
| logSw: | -4.1369 |
| Hydrogen bond acceptors count: | 17 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 149.225 |
| InChI Key: | WLJPPNOBYSIJCQ-UHFFFAOYSA-N |