2-[5-(azepan-1-yl)-4-fluoro-2-nitrophenyl]-1,2,3,4-tetrahydroisoquinoline
Chemical Structure Depiction of
2-[5-(azepan-1-yl)-4-fluoro-2-nitrophenyl]-1,2,3,4-tetrahydroisoquinoline
2-[5-(azepan-1-yl)-4-fluoro-2-nitrophenyl]-1,2,3,4-tetrahydroisoquinoline
Compound characteristics
| Compound ID: | 8016-0175 |
| Compound Name: | 2-[5-(azepan-1-yl)-4-fluoro-2-nitrophenyl]-1,2,3,4-tetrahydroisoquinoline |
| Molecular Weight: | 369.44 |
| Molecular Formula: | C21 H24 F N3 O2 |
| Smiles: | C1CCCN(CC1)c1cc(c(cc1F)[N+]([O-])=O)N1CCc2ccccc2C1 |
| Stereo: | ACHIRAL |
| logP: | 5.2355 |
| logD: | 5.2355 |
| logSw: | -5.4727 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 39.615 |
| InChI Key: | NOWLIKIMEWXNDK-UHFFFAOYSA-N |