diethyl 5-(2-{[4-(4-bromophenyl)-5-{[(thiophene-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 5-(2-{[4-(4-bromophenyl)-5-{[(thiophene-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate
diethyl 5-(2-{[4-(4-bromophenyl)-5-{[(thiophene-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | K403-0423 |
| Compound Name: | diethyl 5-(2-{[4-(4-bromophenyl)-5-{[(thiophene-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 692.63 |
| Molecular Formula: | C27 H26 Br N5 O6 S3 |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(CSc1nnc(CNC(c2cccs2)=O)n1c1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8224 |
| logD: | 3.0385 |
| logSw: | -4.5838 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 115.843 |
| InChI Key: | UKOAVIGUEBZDHT-UHFFFAOYSA-N |