N-(2,5-difluorophenyl)-2-(4,6-dimethyl-1,5-dioxo-8-phenyl-5,6-dihydro-1H-pyrrolo[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(4H)-yl)acetamide
Chemical Structure Depiction of
N-(2,5-difluorophenyl)-2-(4,6-dimethyl-1,5-dioxo-8-phenyl-5,6-dihydro-1H-pyrrolo[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(4H)-yl)acetamide
N-(2,5-difluorophenyl)-2-(4,6-dimethyl-1,5-dioxo-8-phenyl-5,6-dihydro-1H-pyrrolo[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(4H)-yl)acetamide
Compound characteristics
| Compound ID: | M037-0137 |
| Compound Name: | N-(2,5-difluorophenyl)-2-(4,6-dimethyl-1,5-dioxo-8-phenyl-5,6-dihydro-1H-pyrrolo[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(4H)-yl)acetamide |
| Molecular Weight: | 464.43 |
| Molecular Formula: | C23 H18 F2 N6 O3 |
| Smiles: | CN1C2=NN(CC(Nc3cc(ccc3F)F)=O)C(N2c2c(cn(C)c2C1=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8236 |
| logD: | 2.82 |
| logSw: | -3.404 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.007 |
| InChI Key: | YVELVUWUYMPAJZ-UHFFFAOYSA-N |