N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{[2-(3-methylphenyl)pyrimidin-4-yl]amino}benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{[2-(3-methylphenyl)pyrimidin-4-yl]amino}benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{[2-(3-methylphenyl)pyrimidin-4-yl]amino}benzamide
Compound characteristics
| Compound ID: | F871-0085 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{[2-(3-methylphenyl)pyrimidin-4-yl]amino}benzamide |
| Molecular Weight: | 438.49 |
| Molecular Formula: | C26 H22 N4 O3 |
| Smiles: | Cc1cccc(c1)c1nccc(Nc2cccc(c2)C(NCc2ccc3c(c2)OCO3)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.1681 |
| logD: | 4.887 |
| logSw: | -5.039 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.979 |
| InChI Key: | NXFDLNLSHWMBLE-UHFFFAOYSA-N |