(4-bromophenyl){4-[6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl}methanone
Chemical Structure Depiction of
(4-bromophenyl){4-[6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl}methanone
(4-bromophenyl){4-[6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl}methanone
Compound characteristics
| Compound ID: | D453-0012 |
| Compound Name: | (4-bromophenyl){4-[6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl}methanone |
| Molecular Weight: | 452.35 |
| Molecular Formula: | C22 H22 Br N5 O |
| Smiles: | Cc1ccc(cc1)Nc1cc(ncn1)N1CCN(CC1)C(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1952 |
| logD: | 5.0885 |
| logSw: | -5.0023 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.9 |
| InChI Key: | ZSMYJMPCVOOVMA-UHFFFAOYSA-N |