3-[4-(4-anilino-6-methylpyrimidin-2-yl)piperazine-1-carbonyl]-6,8-dibromo-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[4-(4-anilino-6-methylpyrimidin-2-yl)piperazine-1-carbonyl]-6,8-dibromo-2H-1-benzopyran-2-one
3-[4-(4-anilino-6-methylpyrimidin-2-yl)piperazine-1-carbonyl]-6,8-dibromo-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | G868-0175 |
| Compound Name: | 3-[4-(4-anilino-6-methylpyrimidin-2-yl)piperazine-1-carbonyl]-6,8-dibromo-2H-1-benzopyran-2-one |
| Molecular Weight: | 599.28 |
| Molecular Formula: | C25 H21 Br2 N5 O3 |
| Smiles: | Cc1cc(Nc2ccccc2)nc(n1)N1CCN(CC1)C(C1=Cc2cc(cc(c2OC1=O)[Br])[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.6375 |
| logD: | 5.0621 |
| logSw: | -5.5049 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.537 |
| InChI Key: | PNGYHERRYGWRBR-UHFFFAOYSA-N |