2-{2-[benzyl(methyl)amino]-2-oxoethyl}-1-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
2-{2-[benzyl(methyl)amino]-2-oxoethyl}-1-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid
2-{2-[benzyl(methyl)amino]-2-oxoethyl}-1-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G955-0297 |
| Compound Name: | 2-{2-[benzyl(methyl)amino]-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(N(C)Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4759 |
| logD: | 0.6767 |
| logSw: | -2.1305 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.005 |
| InChI Key: | NCJOUZADTXNINP-UHFFFAOYSA-N |