N-(4-cyanophenyl)-2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-cyanophenyl)-2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}acetamide
N-(4-cyanophenyl)-2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | L112-0688 |
| Compound Name: | N-(4-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(Nc1ccc(C#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.547 |
| logD: | 5.5424 |
| logSw: | -6.0717 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.631 |
| InChI Key: | SKYIGRNVSJBKBR-UHFFFAOYSA-N |