2-(4-chloro-3-methylphenoxy)-1-{4-[6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
2-(4-chloro-3-methylphenoxy)-1-{4-[6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl}ethan-1-one
2-(4-chloro-3-methylphenoxy)-1-{4-[6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | D453-0052 |
| Compound Name: | 2-(4-chloro-3-methylphenoxy)-1-{4-[6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 451.96 |
| Molecular Formula: | C24 H26 Cl N5 O2 |
| Smiles: | Cc1ccc(cc1)Nc1cc(ncn1)N1CCN(CC1)C(COc1ccc(c(C)c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4218 |
| logD: | 5.3151 |
| logSw: | -5.9736 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.872 |
| InChI Key: | PEHACFRKNRPTFM-UHFFFAOYSA-N |