2-fluoro-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(3-methylphenyl)benzamide
Chemical Structure Depiction of
2-fluoro-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(3-methylphenyl)benzamide
2-fluoro-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(3-methylphenyl)benzamide
Compound characteristics
| Compound ID: | D433-1023 |
| Compound Name: | 2-fluoro-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(3-methylphenyl)benzamide |
| Molecular Weight: | 391.4 |
| Molecular Formula: | C21 H18 F N5 O2 |
| Smiles: | CC1=CC(n2c(N1)nc(CN(C(c1ccccc1F)=O)c1cccc(C)c1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0557 |
| logD: | 0.403 |
| logSw: | -3.5196 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.347 |
| InChI Key: | QJJLRSKPTFIPKD-UHFFFAOYSA-N |