1-(4-bromo-3-methylphenyl)-5-(3-methoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-(4-bromo-3-methylphenyl)-5-(3-methoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-(4-bromo-3-methylphenyl)-5-(3-methoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | L109-0687 |
| Compound Name: | 1-(4-bromo-3-methylphenyl)-5-(3-methoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 415.24 |
| Molecular Formula: | C18 H15 Br N4 O3 |
| Smiles: | Cc1cc(ccc1[Br])N1C2C(C(N(C2=O)c2cccc(c2)OC)=O)N=N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4238 |
| logD: | 3.4233 |
| logSw: | -3.6311 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.497 |
| InChI Key: | QIUYJCCOYOOSHH-UHFFFAOYSA-N |