diethyl 5-(2-{[4-(2,5-dimethylphenyl)-5-{[(thiophene-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}propanamido)-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 5-(2-{[4-(2,5-dimethylphenyl)-5-{[(thiophene-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}propanamido)-3-methylthiophene-2,4-dicarboxylate
diethyl 5-(2-{[4-(2,5-dimethylphenyl)-5-{[(thiophene-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}propanamido)-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | K403-1105 |
| Compound Name: | diethyl 5-(2-{[4-(2,5-dimethylphenyl)-5-{[(thiophene-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}propanamido)-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 655.81 |
| Molecular Formula: | C30 H33 N5 O6 S3 |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(C(C)Sc1nnc(CNC(c2cccs2)=O)n1c1cc(C)ccc1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4878 |
| logD: | 3.4548 |
| logSw: | -5.3907 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 115.756 |
| InChI Key: | UYNKQHOLHZQGHN-IBGZPJMESA-N |