2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)acetamide
2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | L112-0701 |
| Compound Name: | 2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)acetamide |
| Molecular Weight: | 486.59 |
| Molecular Formula: | C27 H26 N4 O3 S |
| Smiles: | COc1ccc(c(c1)NC(CSc1c2ccccc2nc(n1)N1CCc2ccccc2C1)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.576 |
| logD: | 5.5713 |
| logSw: | -5.7416 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.051 |
| InChI Key: | BCALSQCYCXKVRZ-UHFFFAOYSA-N |