1-[1-(4-methylphenyl)-7-{[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]methoxy}-3,4-dihydroisoquinolin-2(1H)-yl]propan-1-one
Chemical Structure Depiction of
1-[1-(4-methylphenyl)-7-{[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]methoxy}-3,4-dihydroisoquinolin-2(1H)-yl]propan-1-one
1-[1-(4-methylphenyl)-7-{[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]methoxy}-3,4-dihydroisoquinolin-2(1H)-yl]propan-1-one
Compound characteristics
| Compound ID: | V023-3720 |
| Compound Name: | 1-[1-(4-methylphenyl)-7-{[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]methoxy}-3,4-dihydroisoquinolin-2(1H)-yl]propan-1-one |
| Molecular Weight: | 489.64 |
| Molecular Formula: | C28 H31 N3 O3 S |
| Smiles: | CCC(N1CCc2ccc(cc2C1c1ccc(C)cc1)OCc1nc(cs1)C(N1CCCC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4243 |
| logD: | 5.4243 |
| logSw: | -5.3116 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.348 |
| InChI Key: | MAQMFKAQLIFCIJ-MHZLTWQESA-N |