1-ethyl-4-methyl-2-{2-[methyl(3-methylphenyl)amino]-2-oxoethyl}-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-ethyl-4-methyl-2-{2-[methyl(3-methylphenyl)amino]-2-oxoethyl}-1H-pyrrole-3-carboxylic acid
1-ethyl-4-methyl-2-{2-[methyl(3-methylphenyl)amino]-2-oxoethyl}-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G955-0367 |
| Compound Name: | 1-ethyl-4-methyl-2-{2-[methyl(3-methylphenyl)amino]-2-oxoethyl}-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 314.38 |
| Molecular Formula: | C18 H22 N2 O3 |
| Smiles: | CCn1cc(C)c(C(O)=O)c1CC(N(C)c1cccc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5501 |
| logD: | 0.7509 |
| logSw: | -2.1824 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.224 |
| InChI Key: | YBSKHKOZUORKKM-UHFFFAOYSA-N |