1-[1-(3-fluorophenyl)-7-({1-[4-(2-methoxyethyl)piperazin-1-yl]-1-oxopropan-2-yl}oxy)-3,4-dihydroisoquinolin-2(1H)-yl]-3-methylbutan-1-one
Chemical Structure Depiction of
1-[1-(3-fluorophenyl)-7-({1-[4-(2-methoxyethyl)piperazin-1-yl]-1-oxopropan-2-yl}oxy)-3,4-dihydroisoquinolin-2(1H)-yl]-3-methylbutan-1-one
1-[1-(3-fluorophenyl)-7-({1-[4-(2-methoxyethyl)piperazin-1-yl]-1-oxopropan-2-yl}oxy)-3,4-dihydroisoquinolin-2(1H)-yl]-3-methylbutan-1-one
Compound characteristics
| Compound ID: | V004-3677 |
| Compound Name: | 1-[1-(3-fluorophenyl)-7-({1-[4-(2-methoxyethyl)piperazin-1-yl]-1-oxopropan-2-yl}oxy)-3,4-dihydroisoquinolin-2(1H)-yl]-3-methylbutan-1-one |
| Molecular Weight: | 525.66 |
| Molecular Formula: | C30 H40 F N3 O4 |
| Smiles: | CC(C)CC(N1CCc2ccc(cc2C1c1cccc(c1)F)OC(C)C(N1CCN(CC1)CCOC)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1324 |
| logD: | 4.0715 |
| logSw: | -4.1947 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.176 |
| InChI Key: | SXCUCQDCIUJCMA-UHFFFAOYSA-N |