2-bromo-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-1-(3-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide
Chemical Structure Depiction of
2-bromo-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-1-(3-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide
2-bromo-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-1-(3-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide
Compound characteristics
| Compound ID: | 8012-1312 |
| Compound Name: | 2-bromo-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-1-(3-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide |
| Molecular Weight: | 479.35 |
| Molecular Formula: | C25 H20 Br F N2 O2 |
| Smiles: | C1CN(Cc2ccccc12)C(/C(=C/c1cccc(c1)F)NC(c1ccccc1[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8269 |
| logD: | 1.8326 |
| logSw: | -4.7783 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.473 |
| InChI Key: | KBGIWTYEBCIWRX-UHFFFAOYSA-N |