4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-6-(4-methylphenyl)-2-(methylsulfanyl)[1,3]thiazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione
Chemical Structure Depiction of
4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-6-(4-methylphenyl)-2-(methylsulfanyl)[1,3]thiazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione
4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-6-(4-methylphenyl)-2-(methylsulfanyl)[1,3]thiazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione
Compound characteristics
Compound ID: | L863-0255 |
Compound Name: | 4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-6-(4-methylphenyl)-2-(methylsulfanyl)[1,3]thiazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione |
Molecular Weight: | 478.59 |
Molecular Formula: | C24 H22 N4 O3 S2 |
Smiles: | Cc1ccc(cc1)N1C(c2c(nc(SC)s2)N(CC(N2CCc3ccccc3C2)=O)C1=O)=O |
Stereo: | ACHIRAL |
logP: | 4.2707 |
logD: | 4.2707 |
logSw: | -4.1528 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 57.359 |
InChI Key: | DDXIVYRZRDKRKK-UHFFFAOYSA-N |