N-(4-{[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino}phenyl)-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-(4-{[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino}phenyl)-2-oxo-2H-1-benzopyran-3-carboxamide
N-(4-{[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino}phenyl)-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | G869-0249 |
| Compound Name: | N-(4-{[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino}phenyl)-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 477.52 |
| Molecular Formula: | C28 H23 N5 O3 |
| Smiles: | Cc1ccc(cc1)Nc1cc(C)nc(Nc2ccc(cc2)NC(C2=Cc3ccccc3OC2=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.7944 |
| logD: | 4.9446 |
| logSw: | -5.5166 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.155 |
| InChI Key: | CPPAHRXUVQJPTK-UHFFFAOYSA-N |