4-{[4,5-dimethyl-3-(propoxycarbonyl)thiophen-2-yl]amino}-4-oxobut-2-enoic acid
Chemical Structure Depiction of
4-{[4,5-dimethyl-3-(propoxycarbonyl)thiophen-2-yl]amino}-4-oxobut-2-enoic acid
4-{[4,5-dimethyl-3-(propoxycarbonyl)thiophen-2-yl]amino}-4-oxobut-2-enoic acid
Compound characteristics
| Compound ID: | Y500-9386 |
| Compound Name: | 4-{[4,5-dimethyl-3-(propoxycarbonyl)thiophen-2-yl]amino}-4-oxobut-2-enoic acid |
| Molecular Weight: | 311.35 |
| Molecular Formula: | C14 H17 N O5 S |
| Smiles: | CCCOC(c1c(C)c(C)sc1NC(/C=C/C(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8141 |
| logD: | -1.6442 |
| logSw: | -2.951 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.614 |
| InChI Key: | NFQWICKJISFMTH-UHFFFAOYSA-N |