5-{[3-cyano-5-(ethoxycarbonyl)-4-methylthiophen-2-yl]amino}-5-oxopentanoic acid
Chemical Structure Depiction of
5-{[3-cyano-5-(ethoxycarbonyl)-4-methylthiophen-2-yl]amino}-5-oxopentanoic acid
5-{[3-cyano-5-(ethoxycarbonyl)-4-methylthiophen-2-yl]amino}-5-oxopentanoic acid
Compound characteristics
| Compound ID: | Y203-8178 |
| Compound Name: | 5-{[3-cyano-5-(ethoxycarbonyl)-4-methylthiophen-2-yl]amino}-5-oxopentanoic acid |
| Molecular Weight: | 324.35 |
| Molecular Formula: | C14 H16 N2 O5 S |
| Smiles: | CCOC(c1c(C)c(C#N)c(NC(CCCC(O)=O)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9276 |
| logD: | -1.6696 |
| logSw: | -1.7971 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.376 |
| InChI Key: | ZLUBYOWRBCTNLV-UHFFFAOYSA-N |