5-{[3-cyano-5-methyl-4-(4-methylphenyl)thiophen-2-yl]amino}-5-oxopentanoic acid
Chemical Structure Depiction of
5-{[3-cyano-5-methyl-4-(4-methylphenyl)thiophen-2-yl]amino}-5-oxopentanoic acid
5-{[3-cyano-5-methyl-4-(4-methylphenyl)thiophen-2-yl]amino}-5-oxopentanoic acid
Compound characteristics
| Compound ID: | Y205-7941 |
| Compound Name: | 5-{[3-cyano-5-methyl-4-(4-methylphenyl)thiophen-2-yl]amino}-5-oxopentanoic acid |
| Molecular Weight: | 342.41 |
| Molecular Formula: | C18 H18 N2 O3 S |
| Smiles: | Cc1ccc(cc1)c1c(C#N)c(NC(CCCC(O)=O)=O)sc1C |
| Stereo: | ACHIRAL |
| logP: | 2.7978 |
| logD: | 0.2006 |
| logSw: | -3.4372 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.351 |
| InChI Key: | NLSXENVSJIJYNT-UHFFFAOYSA-N |