4-{[4-(3,4-dimethylphenyl)-3-(ethoxycarbonyl)-5-methylthiophen-2-yl]amino}-4-oxobut-2-enoic acid
Chemical Structure Depiction of
4-{[4-(3,4-dimethylphenyl)-3-(ethoxycarbonyl)-5-methylthiophen-2-yl]amino}-4-oxobut-2-enoic acid
4-{[4-(3,4-dimethylphenyl)-3-(ethoxycarbonyl)-5-methylthiophen-2-yl]amino}-4-oxobut-2-enoic acid
Compound characteristics
| Compound ID: | Y503-0001 |
| Compound Name: | 4-{[4-(3,4-dimethylphenyl)-3-(ethoxycarbonyl)-5-methylthiophen-2-yl]amino}-4-oxobut-2-enoic acid |
| Molecular Weight: | 387.45 |
| Molecular Formula: | C20 H21 N O5 S |
| Smiles: | CCOC(c1c(c2ccc(C)c(C)c2)c(C)sc1NC(/C=C/C(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4362 |
| logD: | -0.0222 |
| logSw: | -4.2571 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.048 |
| InChI Key: | MGXNSIJLIBPALG-UHFFFAOYSA-N |