2-[(3-fluorophenyl)methyl]-5-methyl-7-(4-methylanilino)[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one
Chemical Structure Depiction of
2-[(3-fluorophenyl)methyl]-5-methyl-7-(4-methylanilino)[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one
2-[(3-fluorophenyl)methyl]-5-methyl-7-(4-methylanilino)[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one
Compound characteristics
| Compound ID: | P573-7587 |
| Compound Name: | 2-[(3-fluorophenyl)methyl]-5-methyl-7-(4-methylanilino)[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one |
| Molecular Weight: | 363.39 |
| Molecular Formula: | C20 H18 F N5 O |
| Smiles: | CC1=CC(Nc2ccc(C)cc2)=NC2=NN(Cc3cccc(c3)F)C(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9642 |
| logD: | 3.9636 |
| logSw: | -3.9785 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.51 |
| InChI Key: | AGCJRDUZSWELGN-UHFFFAOYSA-N |