{4-[6-(2-chloro-4-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl}(3-nitrophenyl)methanone
Chemical Structure Depiction of
{4-[6-(2-chloro-4-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl}(3-nitrophenyl)methanone
{4-[6-(2-chloro-4-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl}(3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | V027-9960 |
| Compound Name: | {4-[6-(2-chloro-4-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl}(3-nitrophenyl)methanone |
| Molecular Weight: | 471.87 |
| Molecular Formula: | C22 H19 Cl F N5 O4 |
| Salt: | not_available |
| Smiles: | CC1CN(CCN1C(c1cccc(c1)[N+]([O-])=O)=O)c1cc(ncn1)Oc1ccc(cc1[Cl])F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3064 |
| logD: | 4.3064 |
| logSw: | -4.6546 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 78.755 |
| InChI Key: | TWINERHOCNJUIW-AWEZNQCLSA-N |