2-{2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1H-pyrrol-1-yl}-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Chemical Structure Depiction of
2-{2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1H-pyrrol-1-yl}-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
2-{2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1H-pyrrol-1-yl}-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Compound characteristics
Compound ID: | L958-1039 |
Compound Name: | 2-{2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1H-pyrrol-1-yl}-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one |
Molecular Weight: | 433.96 |
Molecular Formula: | C24 H20 Cl N3 O S |
Smiles: | C1CN(Cc2ccccc12)C(Cn1cccc1c1nc(cs1)c1ccc(cc1)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 6.1408 |
logD: | 6.1408 |
logSw: | -6.3306 |
Hydrogen bond acceptors count: | 3 |
Polar surface area: | 27.3446 |
InChI Key: | PWBUDKVAEXDZBD-UHFFFAOYSA-N |