3-fluoro-N-({6-[3-(4-fluoroanilino)-3-oxopropyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)benzamide
Chemical Structure Depiction of
3-fluoro-N-({6-[3-(4-fluoroanilino)-3-oxopropyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)benzamide
3-fluoro-N-({6-[3-(4-fluoroanilino)-3-oxopropyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)benzamide
Compound characteristics
| Compound ID: | C908-0423 |
| Compound Name: | 3-fluoro-N-({6-[3-(4-fluoroanilino)-3-oxopropyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)benzamide |
| Molecular Weight: | 464.47 |
| Molecular Formula: | C24 H22 F2 N6 O2 |
| Smiles: | Cc1c(CCC(Nc2ccc(cc2)F)=O)c(C)n2c(n1)nc(CNC(c1cccc(c1)F)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 2.8267 |
| logD: | 2.8262 |
| logSw: | -3.4323 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.658 |
| InChI Key: | NLIYROPDFLTQMG-UHFFFAOYSA-N |