2-benzyl-7-(3-fluoro-4-methylanilino)-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one
Chemical Structure Depiction of
2-benzyl-7-(3-fluoro-4-methylanilino)-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one
2-benzyl-7-(3-fluoro-4-methylanilino)-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one
Compound characteristics
| Compound ID: | P573-7892 |
| Compound Name: | 2-benzyl-7-(3-fluoro-4-methylanilino)-5-methyl[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)c(c2)F)=NC2=NN(Cc3ccccc3)C(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0684 |
| logD: | 4.0657 |
| logSw: | -4.1752 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.51 |
| InChI Key: | RMFSIPKISQKZFU-UHFFFAOYSA-N |