N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{[6-(4-fluorophenyl)pyrimidin-4-yl]amino}benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{[6-(4-fluorophenyl)pyrimidin-4-yl]amino}benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{[6-(4-fluorophenyl)pyrimidin-4-yl]amino}benzamide
Compound characteristics
| Compound ID: | F725-0396 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{[6-(4-fluorophenyl)pyrimidin-4-yl]amino}benzamide |
| Molecular Weight: | 442.45 |
| Molecular Formula: | C25 H19 F N4 O3 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1cccc(c1)Nc1cc(c2ccc(cc2)F)ncn1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1745 |
| logD: | 5.1435 |
| logSw: | -5.5215 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.785 |
| InChI Key: | VSCMTEICYSVNJH-UHFFFAOYSA-N |