3-bromo-N-[1-(4-methoxyphenyl)-3-oxo-3-{[(1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]amino}prop-1-en-2-yl]benzamide
Chemical Structure Depiction of
3-bromo-N-[1-(4-methoxyphenyl)-3-oxo-3-{[(1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]amino}prop-1-en-2-yl]benzamide
3-bromo-N-[1-(4-methoxyphenyl)-3-oxo-3-{[(1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]amino}prop-1-en-2-yl]benzamide
Compound characteristics
| Compound ID: | 8016-3833 |
| Compound Name: | 3-bromo-N-[1-(4-methoxyphenyl)-3-oxo-3-{[(1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]amino}prop-1-en-2-yl]benzamide |
| Molecular Weight: | 520.43 |
| Molecular Formula: | C27 H26 Br N3 O3 |
| Smiles: | COc1ccc(/C=C(/C(NCC2c3ccccc3CCN2)=O)NC(c2cccc(c2)[Br])=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1857 |
| logD: | 4.1857 |
| logSw: | -4.3612 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 66.417 |
| InChI Key: | DORJUEGPWCHNSO-VWLOTQADSA-N |