N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide
Chemical Structure Depiction of
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide
Compound characteristics
Compound ID: | E727-0529 |
Compound Name: | N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide |
Molecular Weight: | 418.56 |
Molecular Formula: | C24 H26 N4 O S |
Smiles: | CSc1ncc(C(NCCCN2CCc3ccccc3C2)=O)c(c2ccccc2)n1 |
Stereo: | ACHIRAL |
logP: | 4.1142 |
logD: | 2.9643 |
logSw: | -3.9243 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 46.451 |
InChI Key: | GRQWAUPTGQLTLD-UHFFFAOYSA-N |