N-(4-cyanophenyl)-2-[5-(4-fluorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(4-cyanophenyl)-2-[5-(4-fluorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
N-(4-cyanophenyl)-2-[5-(4-fluorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | M499-1661 |
| Compound Name: | N-(4-cyanophenyl)-2-[5-(4-fluorophenyl)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide |
| Molecular Weight: | 402.39 |
| Molecular Formula: | C21 H15 F N6 O2 |
| Smiles: | CC1=CC2=NN(CC(Nc3ccc(C#N)cc3)=O)C(N2C(c2ccc(cc2)F)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7387 |
| logD: | 2.7207 |
| logSw: | -3.1487 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.929 |
| InChI Key: | SNAJDJIZHYQLIG-UHFFFAOYSA-N |