1-{4-[6-(2-chloro-5-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl}-3-phenylpropan-1-one
Chemical Structure Depiction of
1-{4-[6-(2-chloro-5-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl}-3-phenylpropan-1-one
1-{4-[6-(2-chloro-5-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl}-3-phenylpropan-1-one
Compound characteristics
| Compound ID: | V027-8413 |
| Compound Name: | 1-{4-[6-(2-chloro-5-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl}-3-phenylpropan-1-one |
| Molecular Weight: | 450.97 |
| Molecular Formula: | C25 H27 Cl N4 O2 |
| Salt: | not_available |
| Smiles: | CC1CN(CCN1C(CCc1ccccc1)=O)c1cc(ncn1)Oc1cc(C)ccc1[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2202 |
| logD: | 5.2202 |
| logSw: | -5.6954 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.846 |
| InChI Key: | ITTOLMIXQKQDQD-IBGZPJMESA-N |