5-(3-chlorophenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
5-(3-chlorophenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
5-(3-chlorophenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | L109-0451 |
| Compound Name: | 5-(3-chlorophenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 326.74 |
| Molecular Formula: | C16 H11 Cl N4 O2 |
| Smiles: | c1ccc(cc1)N1C2C(C(N(C2=O)c2cccc(c2)[Cl])=O)N=N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4889 |
| logD: | 2.4884 |
| logSw: | -2.9768 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.953 |
| InChI Key: | HWVJBVZORFGBDO-UHFFFAOYSA-N |