2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G955-0171 |
| Compound Name: | 2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-1,4-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 312.37 |
| Molecular Formula: | C18 H20 N2 O3 |
| Smiles: | Cc1cn(C)c(CC(N2CCc3ccccc3C2)=O)c1C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1876 |
| logD: | 0.3884 |
| logSw: | -2.128 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.996 |
| InChI Key: | WNWBCRDIAMXPJT-UHFFFAOYSA-N |