2-[5-(4-ethylpiperazin-1-yl)-2-fluoro-4-nitrophenyl]-1,2,3,4-tetrahydroisoquinoline
Chemical Structure Depiction of
2-[5-(4-ethylpiperazin-1-yl)-2-fluoro-4-nitrophenyl]-1,2,3,4-tetrahydroisoquinoline
2-[5-(4-ethylpiperazin-1-yl)-2-fluoro-4-nitrophenyl]-1,2,3,4-tetrahydroisoquinoline
Compound characteristics
| Compound ID: | 6485-2798 |
| Compound Name: | 2-[5-(4-ethylpiperazin-1-yl)-2-fluoro-4-nitrophenyl]-1,2,3,4-tetrahydroisoquinoline |
| Molecular Weight: | 384.45 |
| Molecular Formula: | C21 H25 F N4 O2 |
| Smiles: | CCN1CCN(CC1)c1cc(c(cc1[N+]([O-])=O)F)N1CCc2ccccc2C1 |
| Stereo: | ACHIRAL |
| logP: | 3.9024 |
| logD: | 3.3362 |
| logSw: | -3.9403 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.821 |
| InChI Key: | MZQGFOWHHQGHQE-UHFFFAOYSA-N |