2-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-1-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
2-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-1-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid
2-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-1-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G955-0498 |
| Compound Name: | 2-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-1-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 334.8 |
| Molecular Formula: | C17 H19 Cl N2 O3 |
| Smiles: | CCn1cc(C)c(C(O)=O)c1CC(Nc1ccc(cc1C)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0786 |
| logD: | 1.2794 |
| logSw: | -3.3583 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.562 |
| InChI Key: | NZLHILVXOWRJSI-UHFFFAOYSA-N |