4-({3-cyano-5-methyl-4-[4-(propan-2-yl)phenyl]thiophen-2-yl}amino)-4-oxobutanoic acid
Chemical Structure Depiction of
4-({3-cyano-5-methyl-4-[4-(propan-2-yl)phenyl]thiophen-2-yl}amino)-4-oxobutanoic acid
4-({3-cyano-5-methyl-4-[4-(propan-2-yl)phenyl]thiophen-2-yl}amino)-4-oxobutanoic acid
Compound characteristics
| Compound ID: | Y202-7297 |
| Compound Name: | 4-({3-cyano-5-methyl-4-[4-(propan-2-yl)phenyl]thiophen-2-yl}amino)-4-oxobutanoic acid |
| Molecular Weight: | 356.44 |
| Molecular Formula: | C19 H20 N2 O3 S |
| Smiles: | CC(C)c1ccc(cc1)c1c(C#N)c(NC(CCC(O)=O)=O)sc1C |
| Stereo: | ACHIRAL |
| logP: | 3.6721 |
| logD: | 0.7227 |
| logSw: | -4.2019 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.351 |
| InChI Key: | XOEIBEGRVHSHBH-UHFFFAOYSA-N |