diethyl 5-{2-[(4-benzyl-5-{[2-(trifluoromethyl)benzamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 5-{2-[(4-benzyl-5-{[2-(trifluoromethyl)benzamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-3-methylthiophene-2,4-dicarboxylate
diethyl 5-{2-[(4-benzyl-5-{[2-(trifluoromethyl)benzamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | K403-0788 |
| Compound Name: | diethyl 5-{2-[(4-benzyl-5-{[2-(trifluoromethyl)benzamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 689.73 |
| Molecular Formula: | C31 H30 F3 N5 O6 S2 |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(CSc1nnc(CNC(c2ccccc2C(F)(F)F)=O)n1Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0303 |
| logD: | 3.1557 |
| logSw: | -4.7399 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.081 |
| InChI Key: | IPZXWQVVVAOXRI-UHFFFAOYSA-N |