4-{[5-ethyl-3-(methoxycarbonyl)thiophen-2-yl]amino}-4-oxobut-2-enoic acid
Chemical Structure Depiction of
4-{[5-ethyl-3-(methoxycarbonyl)thiophen-2-yl]amino}-4-oxobut-2-enoic acid
4-{[5-ethyl-3-(methoxycarbonyl)thiophen-2-yl]amino}-4-oxobut-2-enoic acid
Compound characteristics
| Compound ID: | Y502-9969 |
| Compound Name: | 4-{[5-ethyl-3-(methoxycarbonyl)thiophen-2-yl]amino}-4-oxobut-2-enoic acid |
| Molecular Weight: | 283.3 |
| Molecular Formula: | C12 H13 N O5 S |
| Smiles: | CCc1cc(C(=O)OC)c(NC(/C=C/C(O)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.1566 |
| logD: | -2.3018 |
| logSw: | -2.7053 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.74 |
| InChI Key: | SMAHHJJAXBRMEJ-UHFFFAOYSA-N |