1-[(2-bromo-5-methoxyphenyl)methyl]-5-(4-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-[(2-bromo-5-methoxyphenyl)methyl]-5-(4-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-[(2-bromo-5-methoxyphenyl)methyl]-5-(4-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | C200-3704 |
| Compound Name: | 1-[(2-bromo-5-methoxyphenyl)methyl]-5-(4-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 433.23 |
| Molecular Formula: | C18 H14 Br F N4 O3 |
| Smiles: | COc1ccc(c(CN2C3C(C(N(C3=O)c3ccc(cc3)F)=O)N=N2)c1)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5489 |
| logD: | 2.5487 |
| logSw: | -2.8101 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.916 |
| InChI Key: | OJEFKMIQCKSIJP-UHFFFAOYSA-N |