2-[2-(azepan-1-yl)-2-oxoethyl]-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
2-[2-(azepan-1-yl)-2-oxoethyl]-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
2-[2-(azepan-1-yl)-2-oxoethyl]-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G955-0031 |
| Compound Name: | 2-[2-(azepan-1-yl)-2-oxoethyl]-1,4-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 278.35 |
| Molecular Formula: | C15 H22 N2 O3 |
| Smiles: | Cc1cn(C)c(CC(N2CCCCCC2)=O)c1C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7259 |
| logD: | -0.0733 |
| logSw: | -1.6916 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.665 |
| InChI Key: | MGIUISMGPWJKNV-UHFFFAOYSA-N |