5-(3-chlorophenyl)-1-(3,4-dimethylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
5-(3-chlorophenyl)-1-(3,4-dimethylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
5-(3-chlorophenyl)-1-(3,4-dimethylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | L109-0461 |
| Compound Name: | 5-(3-chlorophenyl)-1-(3,4-dimethylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 354.79 |
| Molecular Formula: | C18 H15 Cl N4 O2 |
| Smiles: | Cc1ccc(cc1C)N1C2C(C(N(C2=O)c2cccc(c2)[Cl])=O)N=N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7123 |
| logD: | 3.7118 |
| logSw: | -3.9119 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.953 |
| InChI Key: | IMCKDQSZHOFHBG-UHFFFAOYSA-N |