N-(4-{[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino}phenyl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(4-{[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino}phenyl)-2H-1,3-benzodioxole-5-carboxamide
N-(4-{[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino}phenyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | D576-0287 |
| Compound Name: | N-(4-{[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino}phenyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 453.5 |
| Molecular Formula: | C26 H23 N5 O3 |
| Smiles: | Cc1ccc(cc1)Nc1nc(C)cc(Nc2ccc(cc2)NC(c2ccc3c(c2)OCO3)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.8599 |
| logD: | 5.0101 |
| logSw: | -5.4807 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 78.349 |
| InChI Key: | WFUOIVVIFZFBIH-UHFFFAOYSA-N |