6-{[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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-(4-methoxyphenyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Compound characteristics
| Compound ID: | F830-0550 |
| Compound Name: | 6-{[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-(4-methoxyphenyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one |
| Molecular Weight: | 480.28 |
| Molecular Formula: | C20 H14 Br N7 O3 |
| Smiles: | COc1ccc(cc1)n1c2c(C(N(Cc3nc(c4ccccc4[Br])no3)C=N2)=O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 2.7662 |
| logD: | 2.7662 |
| logSw: | -3.2865 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 92.045 |
| InChI Key: | YGEWWPTUCXROLG-UHFFFAOYSA-N |