N-(2,5-difluorophenyl)-2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,5-difluorophenyl)-2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}acetamide
N-(2,5-difluorophenyl)-2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | L112-0725 |
| Compound Name: | N-(2,5-difluorophenyl)-2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 462.52 |
| Molecular Formula: | C25 H20 F2 N4 O S |
| Smiles: | C1CN(Cc2ccccc12)c1nc(c2ccccc2n1)SCC(Nc1cc(ccc1F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0599 |
| logD: | 6.045 |
| logSw: | -6.1647 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.877 |
| InChI Key: | NUKWZXFNTWGDNN-UHFFFAOYSA-N |