4-{[3-cyano-4-(4-fluorophenyl)-5-methylthiophen-2-yl]amino}-4-oxobutanoic acid
Chemical Structure Depiction of
4-{[3-cyano-4-(4-fluorophenyl)-5-methylthiophen-2-yl]amino}-4-oxobutanoic acid
4-{[3-cyano-4-(4-fluorophenyl)-5-methylthiophen-2-yl]amino}-4-oxobutanoic acid
Compound characteristics
| Compound ID: | Y205-5133 |
| Compound Name: | 4-{[3-cyano-4-(4-fluorophenyl)-5-methylthiophen-2-yl]amino}-4-oxobutanoic acid |
| Molecular Weight: | 332.35 |
| Molecular Formula: | C16 H13 F N2 O3 S |
| Smiles: | Cc1c(c2ccc(cc2)F)c(C#N)c(NC(CCC(O)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.363 |
| logD: | -0.5864 |
| logSw: | -2.7858 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.351 |
| InChI Key: | HXXKQIPJIBMBEK-UHFFFAOYSA-N |