1-[(3-bromo-4-methoxyphenyl)methyl]-5-(4-methoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-[(3-bromo-4-methoxyphenyl)methyl]-5-(4-methoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-[(3-bromo-4-methoxyphenyl)methyl]-5-(4-methoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | C200-3708 |
| Compound Name: | 1-[(3-bromo-4-methoxyphenyl)methyl]-5-(4-methoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 445.27 |
| Molecular Formula: | C19 H17 Br N4 O4 |
| Smiles: | COc1ccc(cc1)N1C(C2C(C1=O)N(Cc1ccc(c(c1)[Br])OC)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1268 |
| logD: | 2.1266 |
| logSw: | -2.794 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.547 |
| InChI Key: | ODWOKVLCQOARLV-UHFFFAOYSA-N |