3-methyl-1-[1-(4-methylphenyl)-7-{[5-(pyrrolidine-1-carbonyl)furan-2-yl]methoxy}-3,4-dihydroisoquinolin-2(1H)-yl]butan-1-one
Chemical Structure Depiction of
3-methyl-1-[1-(4-methylphenyl)-7-{[5-(pyrrolidine-1-carbonyl)furan-2-yl]methoxy}-3,4-dihydroisoquinolin-2(1H)-yl]butan-1-one
3-methyl-1-[1-(4-methylphenyl)-7-{[5-(pyrrolidine-1-carbonyl)furan-2-yl]methoxy}-3,4-dihydroisoquinolin-2(1H)-yl]butan-1-one
Compound characteristics
| Compound ID: | V030-7739 |
| Compound Name: | 3-methyl-1-[1-(4-methylphenyl)-7-{[5-(pyrrolidine-1-carbonyl)furan-2-yl]methoxy}-3,4-dihydroisoquinolin-2(1H)-yl]butan-1-one |
| Molecular Weight: | 500.64 |
| Molecular Formula: | C31 H36 N2 O4 |
| Smiles: | CC(C)CC(N1CCc2ccc(cc2C1c1ccc(C)cc1)OCc1ccc(C(N2CCCC2)=O)o1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3054 |
| logD: | 6.3054 |
| logSw: | -5.4257 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.689 |
| InChI Key: | KXEDQAJRAFPVHS-PMERELPUSA-N |