6-{[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-[(2-methylphenyl)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-[(2-methylphenyl)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-[(2-methylphenyl)methyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Compound characteristics
| Compound ID: | F830-0056 |
| Compound Name: | 6-{[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-[(2-methylphenyl)methyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one |
| Molecular Weight: | 478.31 |
| Molecular Formula: | C21 H16 Br N7 O2 |
| Smiles: | Cc1ccccc1Cn1c2c(C(N(Cc3nc(c4cccc(c4)[Br])no3)C=N2)=O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 4.2957 |
| logD: | 4.2956 |
| logSw: | -4.4423 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 84.365 |
| InChI Key: | KFAMCXZDWGAJAU-UHFFFAOYSA-N |