N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{[5-(4-methylphenyl)pyrimidin-2-yl]amino}benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{[5-(4-methylphenyl)pyrimidin-2-yl]amino}benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{[5-(4-methylphenyl)pyrimidin-2-yl]amino}benzamide
Compound characteristics
| Compound ID: | L369-0392 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{[5-(4-methylphenyl)pyrimidin-2-yl]amino}benzamide |
| Molecular Weight: | 438.49 |
| Molecular Formula: | C26 H22 N4 O3 |
| Smiles: | Cc1ccc(cc1)c1cnc(Nc2cccc(c2)C(NCc2ccc3c(c2)OCO3)=O)nc1 |
| Stereo: | ACHIRAL |
| logP: | 5.0453 |
| logD: | 5.0453 |
| logSw: | -4.6303 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.157 |
| InChI Key: | UBFVTMHIFNHVJM-UHFFFAOYSA-N |