2-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
2-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
2-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G955-0125 |
| Compound Name: | 2-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-1,4-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 320.77 |
| Molecular Formula: | C16 H17 Cl N2 O3 |
| Smiles: | Cc1ccc(c(c1)[Cl])NC(Cc1c(C(O)=O)c(C)cn1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.628 |
| logD: | 0.8288 |
| logSw: | -3.1205 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.393 |
| InChI Key: | ILJCEQXKPIAQMP-UHFFFAOYSA-N |