2-(2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]amino}-2-oxoethyl)-1-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
2-(2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]amino}-2-oxoethyl)-1-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid
2-(2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]amino}-2-oxoethyl)-1-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G955-0403 |
| Compound Name: | 2-(2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]amino}-2-oxoethyl)-1-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 369.46 |
| Molecular Formula: | C21 H27 N3 O3 |
| Smiles: | CCn1cc(C)c(C(O)=O)c1CC(NCCN1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8502 |
| logD: | 1.8502 |
| logSw: | -2.1551 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.068 |
| InChI Key: | KRZZGOZOQJPCPG-UHFFFAOYSA-N |