{4-[6-(4-fluoro-2-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl}(4-nitrophenyl)methanone
Chemical Structure Depiction of
{4-[6-(4-fluoro-2-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl}(4-nitrophenyl)methanone
{4-[6-(4-fluoro-2-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl}(4-nitrophenyl)methanone
Compound characteristics
| Compound ID: | V028-0093 |
| Compound Name: | {4-[6-(4-fluoro-2-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl}(4-nitrophenyl)methanone |
| Molecular Weight: | 451.46 |
| Molecular Formula: | C23 H22 F N5 O4 |
| Salt: | not_available |
| Smiles: | CC1CN(CCN1C(c1ccc(cc1)[N+]([O-])=O)=O)c1cc(ncn1)Oc1ccc(cc1C)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2829 |
| logD: | 4.2829 |
| logSw: | -4.4872 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 78.755 |
| InChI Key: | XLKJXGKXQYKSGC-INIZCTEOSA-N |