3-[(3,5-difluorophenyl)methyl]-6-{[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Chemical Structure Depiction of
3-[(3,5-difluorophenyl)methyl]-6-{[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
3-[(3,5-difluorophenyl)methyl]-6-{[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Compound characteristics
| Compound ID: | F830-0980 |
| Compound Name: | 3-[(3,5-difluorophenyl)methyl]-6-{[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one |
| Molecular Weight: | 449.42 |
| Molecular Formula: | C22 H17 F2 N7 O2 |
| Smiles: | Cc1ccc(cc1C)c1nc(CN2C=Nc3c(C2=O)nnn3Cc2cc(cc(c2)F)F)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.0545 |
| logD: | 4.0545 |
| logSw: | -4.1291 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 84.365 |
| InChI Key: | IXKKGZDRNYVBEJ-UHFFFAOYSA-N |