diethyl 3-methyl-5-{2-[(4-methyl-5-{[2-(trifluoromethyl)benzamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}thiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 3-methyl-5-{2-[(4-methyl-5-{[2-(trifluoromethyl)benzamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}thiophene-2,4-dicarboxylate
diethyl 3-methyl-5-{2-[(4-methyl-5-{[2-(trifluoromethyl)benzamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}thiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | K403-1294 |
| Compound Name: | diethyl 3-methyl-5-{2-[(4-methyl-5-{[2-(trifluoromethyl)benzamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]propanamido}thiophene-2,4-dicarboxylate |
| Molecular Weight: | 627.66 |
| Molecular Formula: | C26 H28 F3 N5 O6 S2 |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(C(C)Sc1nnc(CNC(c2ccccc2C(F)(F)F)=O)n1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8179 |
| logD: | 1.6937 |
| logSw: | -4.1474 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 115.376 |
| InChI Key: | JAUCYAWWLXPQFV-AWEZNQCLSA-N |