2-[2-(3-cyanoanilino)-2-oxoethyl]-1-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
2-[2-(3-cyanoanilino)-2-oxoethyl]-1-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid
2-[2-(3-cyanoanilino)-2-oxoethyl]-1-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G955-0393 |
| Compound Name: | 2-[2-(3-cyanoanilino)-2-oxoethyl]-1-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 311.34 |
| Molecular Formula: | C17 H17 N3 O3 |
| Smiles: | CCn1cc(C)c(C(O)=O)c1CC(Nc1cccc(C#N)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0789 |
| logD: | 0.2796 |
| logSw: | -2.5527 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.316 |
| InChI Key: | MWILZIPQGVENHX-UHFFFAOYSA-N |