2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}-N-(2,5-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}-N-(2,5-dimethylphenyl)acetamide
2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}-N-(2,5-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | L112-0707 |
| Compound Name: | 2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}-N-(2,5-dimethylphenyl)acetamide |
| Molecular Weight: | 454.59 |
| Molecular Formula: | C27 H26 N4 O S |
| Smiles: | Cc1ccc(C)c(c1)NC(CSc1c2ccccc2nc(n1)N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9338 |
| logD: | 5.9295 |
| logSw: | -5.6218 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.877 |
| InChI Key: | PMDWQEYJTKQHEP-UHFFFAOYSA-N |