1-[1-(3-fluorophenyl)-7-({1-oxo-1-[4-(prop-2-en-1-yl)piperazin-1-yl]propan-2-yl}oxy)-3,4-dihydroisoquinolin-2(1H)-yl]-3-methylbutan-1-one
Chemical Structure Depiction of
1-[1-(3-fluorophenyl)-7-({1-oxo-1-[4-(prop-2-en-1-yl)piperazin-1-yl]propan-2-yl}oxy)-3,4-dihydroisoquinolin-2(1H)-yl]-3-methylbutan-1-one
1-[1-(3-fluorophenyl)-7-({1-oxo-1-[4-(prop-2-en-1-yl)piperazin-1-yl]propan-2-yl}oxy)-3,4-dihydroisoquinolin-2(1H)-yl]-3-methylbutan-1-one
Compound characteristics
| Compound ID: | V004-5866 |
| Compound Name: | 1-[1-(3-fluorophenyl)-7-({1-oxo-1-[4-(prop-2-en-1-yl)piperazin-1-yl]propan-2-yl}oxy)-3,4-dihydroisoquinolin-2(1H)-yl]-3-methylbutan-1-one |
| Molecular Weight: | 507.65 |
| Molecular Formula: | C30 H38 F N3 O3 |
| Smiles: | CC(C)CC(N1CCc2ccc(cc2C1c1cccc(c1)F)OC(C)C(N1CCN(CC1)CC=C)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.788 |
| logD: | 4.6793 |
| logSw: | -4.5936 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.833 |
| InChI Key: | NGPLDOWFTZUPIP-UHFFFAOYSA-N |