diethyl 5-(2-{[4-(2,3-dimethylphenyl)-5-{[(furan-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-{[(furan-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-{[(furan-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | K403-0536 |
| Compound Name: | diethyl 5-(2-{[4-(2,3-dimethylphenyl)-5-{[(furan-2-carbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 625.72 |
| Molecular Formula: | C29 H31 N5 O7 S2 |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(CSc1nnc(CNC(c2ccco2)=O)n1c1cccc(C)c1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1792 |
| logD: | 2.3953 |
| logSw: | -4.2696 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 123.102 |
| InChI Key: | XHPOADULNZMESQ-UHFFFAOYSA-N |