1-benzyl-5-(3-chlorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-benzyl-5-(3-chlorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-benzyl-5-(3-chlorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | C433-0521 |
| Compound Name: | 1-benzyl-5-(3-chlorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 340.77 |
| Molecular Formula: | C17 H13 Cl N4 O2 |
| Smiles: | C(c1ccccc1)N1C2C(C(N(C2=O)c2cccc(c2)[Cl])=O)N=N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.298 |
| logD: | 2.2975 |
| logSw: | -3.0668 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.373 |
| InChI Key: | YIXVZZWOGFVWPU-UHFFFAOYSA-N |