3-benzyl-6-{[3-(3-bromo-4-fluorophenyl)-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-benzyl-6-{[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
3-benzyl-6-{[3-(3-bromo-4-fluorophenyl)-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: | F830-0759 |
| Compound Name: | 3-benzyl-6-{[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one |
| Molecular Weight: | 482.27 |
| Molecular Formula: | C20 H13 Br F N7 O2 |
| Smiles: | C(c1nc(c2ccc(c(c2)[Br])F)no1)N1C=Nc2c(C1=O)nnn2Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5154 |
| logD: | 3.5153 |
| logSw: | -3.7727 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 84.365 |
| InChI Key: | CAJSGUOHNYMYJI-UHFFFAOYSA-N |