2-[5-cyano-2-(4-fluorophenyl)-6-oxopyrimidin-1(6H)-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Chemical Structure Depiction of
2-[5-cyano-2-(4-fluorophenyl)-6-oxopyrimidin-1(6H)-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
2-[5-cyano-2-(4-fluorophenyl)-6-oxopyrimidin-1(6H)-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Compound characteristics
| Compound ID: | M045-0307 |
| Compound Name: | 2-[5-cyano-2-(4-fluorophenyl)-6-oxopyrimidin-1(6H)-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide |
| Molecular Weight: | 406.37 |
| Molecular Formula: | C21 H15 F N4 O4 |
| Smiles: | C(C(Nc1ccc2c(c1)OCCO2)=O)N1C(c2ccc(cc2)F)=NC=C(C#N)C1=O |
| Stereo: | ACHIRAL |
| logP: | 1.409 |
| logD: | 1.409 |
| logSw: | -2.2277 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.368 |
| InChI Key: | OPRZSVJLCRIRIT-UHFFFAOYSA-N |