{4-[6-(4-fluoro-2-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl}(3-nitrophenyl)methanone
Chemical Structure Depiction of
{4-[6-(4-fluoro-2-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl}(3-nitrophenyl)methanone
{4-[6-(4-fluoro-2-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl}(3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | V028-0057 |
| Compound Name: | {4-[6-(4-fluoro-2-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl}(3-nitrophenyl)methanone |
| Molecular Weight: | 437.43 |
| Molecular Formula: | C22 H20 F N5 O4 |
| Salt: | not_available |
| Smiles: | Cc1cc(ccc1Oc1cc(ncn1)N1CCN(CC1)C(c1cccc(c1)[N+]([O-])=O)=O)F |
| Stereo: | ACHIRAL |
| logP: | 3.7884 |
| logD: | 3.7884 |
| logSw: | -4.0677 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.537 |
| InChI Key: | PEJAQEUJLMFCCD-UHFFFAOYSA-N |