ethyl 2-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]benzamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]benzamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
ethyl 2-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]benzamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 7894-4319 |
| Compound Name: | ethyl 2-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]benzamido}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Molecular Weight: | 460.59 |
| Molecular Formula: | C27 H28 N2 O3 S |
| Smiles: | CCOC(c1c2CCCc2sc1NC(c1ccc(CN2CCc3ccccc3C2)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1511 |
| logD: | 1.3952 |
| logSw: | -5.0873 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.559 |
| InChI Key: | LLBIJEDTBJMZRL-UHFFFAOYSA-N |