2-[2-(3-cyanoanilino)-2-oxoethyl]-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
2-[2-(3-cyanoanilino)-2-oxoethyl]-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
2-[2-(3-cyanoanilino)-2-oxoethyl]-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G955-0129 |
| Compound Name: | 2-[2-(3-cyanoanilino)-2-oxoethyl]-1,4-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 297.31 |
| Molecular Formula: | C16 H15 N3 O3 |
| Smiles: | Cc1cn(C)c(CC(Nc2cccc(C#N)c2)=O)c1C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7652 |
| logD: | -0.034 |
| logSw: | -2.1914 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.147 |
| InChI Key: | USNWMMPLBPYUCB-UHFFFAOYSA-N |