2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-1-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-1-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid
2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-1-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G955-0431 |
| Compound Name: | 2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-1-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 326.39 |
| Molecular Formula: | C19 H22 N2 O3 |
| Smiles: | CCn1cc(C)c(C(O)=O)c1CC(N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5012 |
| logD: | 0.702 |
| logSw: | -2.0733 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.165 |
| InChI Key: | UCHVVVVJMYFOHI-UHFFFAOYSA-N |