ethyl 4-{4-[6-(2-chloro-4-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl}-4-oxobutanoate
Chemical Structure Depiction of
ethyl 4-{4-[6-(2-chloro-4-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl}-4-oxobutanoate
ethyl 4-{4-[6-(2-chloro-4-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl}-4-oxobutanoate
Compound characteristics
| Compound ID: | V027-6755 |
| Compound Name: | ethyl 4-{4-[6-(2-chloro-4-fluorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl}-4-oxobutanoate |
| Molecular Weight: | 450.9 |
| Molecular Formula: | C21 H24 Cl F N4 O4 |
| Salt: | not_available |
| Smiles: | CCOC(CCC(N1CCN(CC1C)c1cc(ncn1)Oc1ccc(cc1[Cl])F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3907 |
| logD: | 3.3907 |
| logSw: | -3.7831 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.276 |
| InChI Key: | KIICPUBGRKJBLL-AWEZNQCLSA-N |