N-(4-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-(4-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)-2-oxo-2H-1-benzopyran-3-carboxamide
N-(4-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | D430-0371 |
| Compound Name: | N-(4-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 441.49 |
| Molecular Formula: | C25 H23 N5 O3 |
| Smiles: | Cc1nc(cc(n1)N1CCCC1)Nc1ccc(cc1)NC(C1=Cc2ccccc2OC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4656 |
| logD: | 4.1803 |
| logSw: | -4.4044 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.197 |
| InChI Key: | UKXCQXDCWVKDIS-UHFFFAOYSA-N |