4-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-4-oxobut-2-enoic acid
Chemical Structure Depiction of
4-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-4-oxobut-2-enoic acid
4-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-4-oxobut-2-enoic acid
Compound characteristics
| Compound ID: | 8006-3115 |
| Compound Name: | 4-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-4-oxobut-2-enoic acid |
| Molecular Weight: | 250.27 |
| Molecular Formula: | C11 H10 N2 O3 S |
| Smiles: | Cc1c(C#N)c(NC(/C=C/C(O)=O)=O)sc1C |
| Stereo: | ACHIRAL |
| logP: | 1.84 |
| logD: | -2.6184 |
| logSw: | -2.4191 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.622 |
| InChI Key: | XPBVVJQMUUACRY-ONEGZZNKSA-N |