N-(2,3-dimethylphenyl)-2-[5-(3-fluoro-4-methylanilino)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(2,3-dimethylphenyl)-2-[5-(3-fluoro-4-methylanilino)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
N-(2,3-dimethylphenyl)-2-[5-(3-fluoro-4-methylanilino)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | P572-8615 |
| Compound Name: | N-(2,3-dimethylphenyl)-2-[5-(3-fluoro-4-methylanilino)-7-methyl-3-oxo[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide |
| Molecular Weight: | 434.47 |
| Molecular Formula: | C23 H23 F N6 O2 |
| Smiles: | CC1=CC2=NN(CC(Nc3cccc(C)c3C)=O)C(N2C(Nc2ccc(C)c(c2)F)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3991 |
| logD: | 4.3882 |
| logSw: | -4.3209 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.097 |
| InChI Key: | BRUQQQYOSALEEY-UHFFFAOYSA-N |