diethyl 5-(2-{[4-(2,3-dimethylphenyl)-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-(2,3-dimethylphenyl)-5-{[(thiophene-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate
diethyl 5-(2-{[4-(2,3-dimethylphenyl)-5-{[(thiophene-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | K403-0469 |
| Compound Name: | diethyl 5-(2-{[4-(2,3-dimethylphenyl)-5-{[(thiophene-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 641.79 |
| Molecular Formula: | C29 H31 N5 O6 S3 |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(CSc1nnc(CNC(c2cccs2)=O)n1c1cccc(C)c1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8576 |
| logD: | 3.0737 |
| logSw: | -4.5755 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 115.542 |
| InChI Key: | IZLFOWIVKKDAHF-UHFFFAOYSA-N |