1-[7-{[4-(4-acetylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methoxy}-1-(4-methylphenyl)-3,4-dihydroisoquinolin-2(1H)-yl]propan-1-one
Chemical Structure Depiction of
1-[7-{[4-(4-acetylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methoxy}-1-(4-methylphenyl)-3,4-dihydroisoquinolin-2(1H)-yl]propan-1-one
1-[7-{[4-(4-acetylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methoxy}-1-(4-methylphenyl)-3,4-dihydroisoquinolin-2(1H)-yl]propan-1-one
Compound characteristics
| Compound ID: | V001-0796 |
| Compound Name: | 1-[7-{[4-(4-acetylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methoxy}-1-(4-methylphenyl)-3,4-dihydroisoquinolin-2(1H)-yl]propan-1-one |
| Molecular Weight: | 546.69 |
| Molecular Formula: | C30 H34 N4 O4 S |
| Smiles: | CCC(N1CCc2ccc(cc2C1c1ccc(C)cc1)OCc1nc(cs1)C(N1CCN(CC1)C(C)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3538 |
| logD: | 4.3538 |
| logSw: | -4.2898 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.178 |
| InChI Key: | MNAUGUHRYFAQLZ-LJAQVGFWSA-N |