N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[7-(4-fluoroanilino)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[7-(4-fluoroanilino)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[7-(4-fluoroanilino)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | P573-6776 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[7-(4-fluoroanilino)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]acetamide |
| Molecular Weight: | 436.4 |
| Molecular Formula: | C21 H17 F N6 O4 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(CN1C(N2C=CC(Nc3ccc(cc3)F)=NC2=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.316 |
| logD: | 2.3135 |
| logSw: | -3.0495 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.432 |
| InChI Key: | LAOUBICVKHYEDL-UHFFFAOYSA-N |