6,8-dibromo-3-{4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazine-1-carbonyl}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6,8-dibromo-3-{4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazine-1-carbonyl}-2H-1-benzopyran-2-one
6,8-dibromo-3-{4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazine-1-carbonyl}-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | G868-0270 |
| Compound Name: | 6,8-dibromo-3-{4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazine-1-carbonyl}-2H-1-benzopyran-2-one |
| Molecular Weight: | 613.31 |
| Molecular Formula: | C26 H23 Br2 N5 O3 |
| Smiles: | Cc1ccc(cc1)Nc1cc(C)nc(n1)N1CCN(CC1)C(C1=Cc2cc(cc(c2OC1=O)[Br])[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 6.2526 |
| logD: | 5.6772 |
| logSw: | -5.4535 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.537 |
| InChI Key: | XJYYKZMWOXJTBN-UHFFFAOYSA-N |