1-[(2-bromo-5-methoxyphenyl)methyl]-5-(4-chlorophenyl)-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-chlorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-[(2-bromo-5-methoxyphenyl)methyl]-5-(4-chlorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | C200-4063 |
| Compound Name: | 1-[(2-bromo-5-methoxyphenyl)methyl]-5-(4-chlorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 449.69 |
| Molecular Formula: | C18 H14 Br Cl N4 O3 |
| Smiles: | COc1ccc(c(CN2C3C(C(N(C3=O)c3ccc(cc3)[Cl])=O)N=N2)c1)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1145 |
| logD: | 3.1144 |
| logSw: | -3.4254 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.916 |
| InChI Key: | RMSJMRZAIHEIGJ-UHFFFAOYSA-N |