2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C096-1502 |
| Compound Name: | 2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 544.67 |
| Molecular Formula: | C32 H37 F N4 O3 |
| Smiles: | CN1CCN(CCCNC(C2C(c3ccc(cc3)OC)N(Cc3ccc(cc3)F)C(c3ccccc23)=O)=O)CC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1259 |
| logD: | 1.9213 |
| logSw: | -3.4585 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.909 |
| InChI Key: | RKBBAQODQPYXAD-UHFFFAOYSA-N |