{4-[6-(2-chlorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl}(3-nitrophenyl)methanone
Chemical Structure Depiction of
{4-[6-(2-chlorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl}(3-nitrophenyl)methanone
{4-[6-(2-chlorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl}(3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | V027-9984 |
| Compound Name: | {4-[6-(2-chlorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl}(3-nitrophenyl)methanone |
| Molecular Weight: | 453.88 |
| Molecular Formula: | C22 H20 Cl N5 O4 |
| Salt: | not_available |
| Smiles: | CC1CN(CCN1C(c1cccc(c1)[N+]([O-])=O)=O)c1cc(ncn1)Oc1ccccc1[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2023 |
| logD: | 4.2023 |
| logSw: | -4.5463 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 78.755 |
| InChI Key: | PPKHUYITELXQKM-HNNXBMFYSA-N |