diethyl 3-methyl-5-{2-[(5-{[(thiophene-2-carbonyl)amino]methyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}thiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 3-methyl-5-{2-[(5-{[(thiophene-2-carbonyl)amino]methyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}thiophene-2,4-dicarboxylate
diethyl 3-methyl-5-{2-[(5-{[(thiophene-2-carbonyl)amino]methyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}thiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | K403-0465 |
| Compound Name: | diethyl 3-methyl-5-{2-[(5-{[(thiophene-2-carbonyl)amino]methyl}-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}thiophene-2,4-dicarboxylate |
| Molecular Weight: | 681.73 |
| Molecular Formula: | C28 H26 F3 N5 O6 S3 |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(CSc1nnc(CNC(c2cccs2)=O)n1c1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8144 |
| logD: | 3.0305 |
| logSw: | -4.6765 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 115.843 |
| InChI Key: | JGMRHFMNUCRFJL-UHFFFAOYSA-N |