ethyl 4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G793-0017 |
| Compound Name: | ethyl 4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 354.45 |
| Molecular Formula: | C21 H26 N2 O3 |
| Smiles: | CCOC(c1c(C)c(CCC(N2CCc3ccccc3C2)=O)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.515 |
| logD: | 3.515 |
| logSw: | -3.3355 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.756 |
| InChI Key: | DYZDKBLYXJXEOR-UHFFFAOYSA-N |