N-{4-[(4-anilino-6-methylpyrimidin-2-yl)amino]phenyl}-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-{4-[(4-anilino-6-methylpyrimidin-2-yl)amino]phenyl}-2-oxo-2H-1-benzopyran-3-carboxamide
N-{4-[(4-anilino-6-methylpyrimidin-2-yl)amino]phenyl}-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | G869-0163 |
| Compound Name: | N-{4-[(4-anilino-6-methylpyrimidin-2-yl)amino]phenyl}-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 463.5 |
| Molecular Formula: | C27 H21 N5 O3 |
| Smiles: | Cc1cc(Nc2ccccc2)nc(Nc2ccc(cc2)NC(C2=Cc3ccccc3OC2=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.1793 |
| logD: | 4.3295 |
| logSw: | -5.1582 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.155 |
| InChI Key: | NGNDFEHGAVCTNS-UHFFFAOYSA-N |