6-{[3-(3-bromophenyl)-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-(3-bromophenyl)-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-(3-bromophenyl)-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: | F830-0986 |
| Compound Name: | 6-{[3-(3-bromophenyl)-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: | 500.26 |
| Molecular Formula: | C20 H12 Br F2 N7 O2 |
| Smiles: | C(c1nc(c2cccc(c2)[Br])no1)N1C=Nc2c(C1=O)nnn2Cc1cc(cc(c1)F)F |
| Stereo: | ACHIRAL |
| logP: | 3.9175 |
| logD: | 3.9174 |
| logSw: | -4.0989 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 84.365 |
| InChI Key: | WPNRWHWQDWCHRF-UHFFFAOYSA-N |