1-{4-[6-(2-chlorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl}-3,5,5-trimethylhexan-1-one
Chemical Structure Depiction of
1-{4-[6-(2-chlorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl}-3,5,5-trimethylhexan-1-one
1-{4-[6-(2-chlorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl}-3,5,5-trimethylhexan-1-one
Compound characteristics
| Compound ID: | V027-5693 |
| Compound Name: | 1-{4-[6-(2-chlorophenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl}-3,5,5-trimethylhexan-1-one |
| Molecular Weight: | 445 |
| Molecular Formula: | C24 H33 Cl N4 O2 |
| Salt: | not_available |
| Smiles: | CC(CC(N1CCN(CC1C)c1cc(ncn1)Oc1ccccc1[Cl])=O)CC(C)(C)C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6211 |
| logD: | 5.6211 |
| logSw: | -5.8679 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.118 |
| InChI Key: | KNRJAHFUWFTQIV-UHFFFAOYSA-N |