6-{[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-[(3-methylphenyl)methyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Chemical Structure Depiction of
6-{[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-[(3-methylphenyl)methyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
6-{[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-[(3-methylphenyl)methyl]-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Compound characteristics
| Compound ID: | F830-0280 |
| Compound Name: | 6-{[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-[(3-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: | Cc1cccc(Cn2c3c(C(N(Cc4nc(c5ccccc5[Br])no4)C=N3)=O)nn2)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.3231 |
| logD: | 3.3231 |
| logSw: | -3.7231 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 84.365 |
| InChI Key: | ROPAAKQFPJQKJV-UHFFFAOYSA-N |