6,7-diethoxy-1-(3-methylphenyl)-2-(4-methylphenyl)-1,4-dihydroisoquinolin-3(2H)-one
Chemical Structure Depiction of
6,7-diethoxy-1-(3-methylphenyl)-2-(4-methylphenyl)-1,4-dihydroisoquinolin-3(2H)-one
6,7-diethoxy-1-(3-methylphenyl)-2-(4-methylphenyl)-1,4-dihydroisoquinolin-3(2H)-one
Compound characteristics
| Compound ID: | D145-2184 |
| Compound Name: | 6,7-diethoxy-1-(3-methylphenyl)-2-(4-methylphenyl)-1,4-dihydroisoquinolin-3(2H)-one |
| Molecular Weight: | 415.53 |
| Molecular Formula: | C27 H29 N O3 |
| Smiles: | CCOc1cc2CC(N(C(c3cccc(C)c3)c2cc1OCC)c1ccc(C)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2342 |
| logD: | 5.2342 |
| logSw: | -5.043 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.7379 |
| InChI Key: | PYZGYOYDOQAXJQ-MHZLTWQESA-N |