2-[2-(azepan-1-yl)-2-oxoethyl]-1-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
2-[2-(azepan-1-yl)-2-oxoethyl]-1-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid
2-[2-(azepan-1-yl)-2-oxoethyl]-1-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G955-0299 |
| Compound Name: | 2-[2-(azepan-1-yl)-2-oxoethyl]-1-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 292.38 |
| Molecular Formula: | C16 H24 N2 O3 |
| Smiles: | CCn1cc(C)c(C(O)=O)c1CC(N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0396 |
| logD: | 0.2404 |
| logSw: | -1.7788 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.834 |
| InChI Key: | DXWKAJIYQJKTTI-UHFFFAOYSA-N |