N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{[5-(4-fluorophenyl)pyrimidin-2-yl]amino}benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{[5-(4-fluorophenyl)pyrimidin-2-yl]amino}benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{[5-(4-fluorophenyl)pyrimidin-2-yl]amino}benzamide
Compound characteristics
| Compound ID: | L369-0242 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{[5-(4-fluorophenyl)pyrimidin-2-yl]amino}benzamide |
| Molecular Weight: | 442.45 |
| Molecular Formula: | C25 H19 F N4 O3 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1cccc(c1)Nc1ncc(cn1)c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6509 |
| logD: | 4.6509 |
| logSw: | -4.7488 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.157 |
| InChI Key: | KXSPGQQTGJPQSD-UHFFFAOYSA-N |