N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4-(propan-2-yl)-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carboxamide
Chemical Structure Depiction of
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4-(propan-2-yl)-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carboxamide
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4-(propan-2-yl)-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carboxamide
Compound characteristics
Compound ID: | M057-2461 |
Compound Name: | N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4-(propan-2-yl)-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carboxamide |
Molecular Weight: | 408.56 |
Molecular Formula: | C23 H28 N4 O S |
Smiles: | CC(C)c1c(C(NCCCN2CCc3ccccc3C2)=O)sc(n1)n1cccc1 |
Stereo: | ACHIRAL |
logP: | 5.0252 |
logD: | 3.8753 |
logSw: | -4.3853 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 42.714 |
InChI Key: | JPFMGBMJJUSGMP-UHFFFAOYSA-N |