1-{4-[6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl}-3,3-dimethylbutan-1-one
Chemical Structure Depiction of
1-{4-[6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl}-3,3-dimethylbutan-1-one
1-{4-[6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl}-3,3-dimethylbutan-1-one
Compound characteristics
| Compound ID: | V027-5701 |
| Compound Name: | 1-{4-[6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl}-3,3-dimethylbutan-1-one |
| Molecular Weight: | 416.95 |
| Molecular Formula: | C22 H29 Cl N4 O2 |
| Salt: | not_available |
| Smiles: | CC1CN(CCN1C(CC(C)(C)C)=O)c1cc(ncn1)Oc1ccc(c(C)c1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.319 |
| logD: | 5.319 |
| logSw: | -5.9261 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.031 |
| InChI Key: | HTLLDTIHJRVGDR-INIZCTEOSA-N |