1-{4-[6-(3-chlorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl}-2-(phenylsulfanyl)ethan-1-one
Chemical Structure Depiction of
1-{4-[6-(3-chlorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl}-2-(phenylsulfanyl)ethan-1-one
1-{4-[6-(3-chlorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl}-2-(phenylsulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | V002-2754 |
| Compound Name: | 1-{4-[6-(3-chlorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl}-2-(phenylsulfanyl)ethan-1-one |
| Molecular Weight: | 454.98 |
| Molecular Formula: | C23 H23 Cl N4 O2 S |
| Salt: | not_available |
| Smiles: | CC1CN(CCN1C(CSc1ccccc1)=O)c1cc(ncn1)Oc1cccc(c1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8839 |
| logD: | 4.8839 |
| logSw: | -4.9387 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.76 |
| InChI Key: | WOWIBUQOKXSKHW-KRWDZBQOSA-N |