2-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
2-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
2-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G955-0250 |
| Compound Name: | 2-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-1,4-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 320.77 |
| Molecular Formula: | C16 H17 Cl N2 O3 |
| Smiles: | Cc1cc(ccc1NC(Cc1c(C(O)=O)c(C)cn1C)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.7649 |
| logD: | 0.9657 |
| logSw: | -3.3181 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.393 |
| InChI Key: | YEQXPMUAKMJYGZ-UHFFFAOYSA-N |