2-(2-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]amino}-2-oxoethyl)-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
2-(2-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]amino}-2-oxoethyl)-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
2-(2-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]amino}-2-oxoethyl)-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G955-0138 |
| Compound Name: | 2-(2-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]amino}-2-oxoethyl)-1,4-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 369.46 |
| Molecular Formula: | C21 H27 N3 O3 |
| Smiles: | Cc1cn(C)c(CC(NCCCN2CCc3ccccc3C2)=O)c1C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6597 |
| logD: | 1.6597 |
| logSw: | -1.9453 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.899 |
| InChI Key: | GFEZFIRFOQHSMF-UHFFFAOYSA-N |