4-{3-[bis(4-chlorophenyl)methoxy]propyl}-N-(6-fluoro-2H,4H-1,3-benzodioxin-8-yl)piperazine-1-carboxamide
Chemical Structure Depiction of
4-{3-[bis(4-chlorophenyl)methoxy]propyl}-N-(6-fluoro-2H,4H-1,3-benzodioxin-8-yl)piperazine-1-carboxamide
4-{3-[bis(4-chlorophenyl)methoxy]propyl}-N-(6-fluoro-2H,4H-1,3-benzodioxin-8-yl)piperazine-1-carboxamide
Compound characteristics
| Compound ID: | V008-4243 |
| Compound Name: | 4-{3-[bis(4-chlorophenyl)methoxy]propyl}-N-(6-fluoro-2H,4H-1,3-benzodioxin-8-yl)piperazine-1-carboxamide |
| Molecular Weight: | 574.48 |
| Molecular Formula: | C29 H30 Cl2 F N3 O4 |
| Salt: | not_available |
| Smiles: | C(CN1CCN(CC1)C(Nc1cc(cc2COCOc12)F)=O)COC(c1ccc(cc1)[Cl])c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.9269 |
| logD: | 5.2619 |
| logSw: | -6.4777 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.32 |
| InChI Key: | KNYZTSXKFOFVRQ-UHFFFAOYSA-N |