N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]acetamide
Compound characteristics
| Compound ID: | P196-0142 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]acetamide |
| Molecular Weight: | 395.39 |
| Molecular Formula: | C21 H18 F N3 O4 |
| Smiles: | CC1=CC(N(CC(NCc2ccc3c(c2)OCO3)=O)C(c2ccc(cc2)F)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3612 |
| logD: | 2.361 |
| logSw: | -2.9233 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.07 |
| InChI Key: | NFYXEFJYKITLKB-UHFFFAOYSA-N |