2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | L112-0747 |
| Compound Name: | 2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 454.59 |
| Molecular Formula: | C27 H26 N4 O S |
| Smiles: | Cc1ccc(CNC(CSc2c3ccccc3nc(n2)N2CCc3ccccc3C2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.9973 |
| logD: | 5.993 |
| logSw: | -5.6306 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.897 |
| InChI Key: | KOMPUNIFXYHEAO-UHFFFAOYSA-N |