2-[2-(2,4-dimethylanilino)-2-oxoethyl]-1-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
2-[2-(2,4-dimethylanilino)-2-oxoethyl]-1-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid
2-[2-(2,4-dimethylanilino)-2-oxoethyl]-1-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G955-0501 |
| Compound Name: | 2-[2-(2,4-dimethylanilino)-2-oxoethyl]-1-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 314.38 |
| Molecular Formula: | C18 H22 N2 O3 |
| Smiles: | CCn1cc(C)c(C(O)=O)c1CC(Nc1ccc(C)cc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7005 |
| logD: | 0.9013 |
| logSw: | -2.5646 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.562 |
| InChI Key: | YXIUIHSPRADPFA-UHFFFAOYSA-N |