1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1H-pyrrol-1-yl}ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1H-pyrrol-1-yl}ethan-1-one
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1H-pyrrol-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | L958-0721 |
| Compound Name: | 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1H-pyrrol-1-yl}ethan-1-one |
| Molecular Weight: | 413.54 |
| Molecular Formula: | C25 H23 N3 O S |
| Smiles: | Cc1ccc(cc1)c1csc(c2cccn2CC(N2CCc3ccccc3C2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.9695 |
| logD: | 5.9695 |
| logSw: | -5.5471 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 27.3446 |
| InChI Key: | IIXHDYXPTOELDU-UHFFFAOYSA-N |