6-{[3-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-[(3,5-difluorophenyl)methyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Chemical Structure Depiction of
6-{[3-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-[(3,5-difluorophenyl)methyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
6-{[3-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-[(3,5-difluorophenyl)methyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Compound characteristics
| Compound ID: | F830-1005 |
| Compound Name: | 6-{[3-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-[(3,5-difluorophenyl)methyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one |
| Molecular Weight: | 473.8 |
| Molecular Formula: | C20 H11 Cl F3 N7 O2 |
| Smiles: | C(c1nc(c2ccc(c(c2)F)[Cl])no1)N1C=Nc2c(C1=O)nnn2Cc1cc(cc(c1)F)F |
| Stereo: | ACHIRAL |
| logP: | 3.7959 |
| logD: | 3.7959 |
| logSw: | -4.3385 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 84.365 |
| InChI Key: | QONUNORWNLKJQR-UHFFFAOYSA-N |