ethyl 1-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate
ethyl 1-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | K906-2838 |
| Compound Name: | ethyl 1-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 420.48 |
| Molecular Formula: | C25 H25 F N2 O3 |
| Smiles: | CCOC(c1cc(c2ccc(cc2)F)n(CC(N2CCc3ccccc3C2)=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0083 |
| logD: | 5.0083 |
| logSw: | -4.561 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.726 |
| InChI Key: | WQTHSFPURRSCHP-UHFFFAOYSA-N |