N-(3-cyanophenyl)-2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-cyanophenyl)-2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}acetamide
N-(3-cyanophenyl)-2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | L112-0687 |
Compound Name: | N-(3-cyanophenyl)-2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}acetamide |
Molecular Weight: | 451.55 |
Molecular Formula: | C26 H21 N5 O S |
Smiles: | C1CN(Cc2ccccc12)c1nc(c2ccccc2n1)SCC(Nc1cccc(C#N)c1)=O |
Stereo: | ACHIRAL |
logP: | 5.7536 |
logD: | 5.7492 |
logSw: | -6.2171 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 60.631 |
InChI Key: | GYWMQKYRLUZTQM-UHFFFAOYSA-N |