2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | L112-0690 |
| Compound Name: | 2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 494.54 |
| Molecular Formula: | C26 H21 F3 N4 O S |
| Smiles: | C1CN(Cc2ccccc12)c1nc(c2ccccc2n1)SCC(Nc1ccccc1C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4082 |
| logD: | 6.4039 |
| logSw: | -6.2133 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.877 |
| InChI Key: | BFZJJXMXGISGGT-UHFFFAOYSA-N |