1-[(3-chlorophenyl)methyl]-5-(3,4-dimethoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-[(3-chlorophenyl)methyl]-5-(3,4-dimethoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-[(3-chlorophenyl)methyl]-5-(3,4-dimethoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | C433-0607 |
| Compound Name: | 1-[(3-chlorophenyl)methyl]-5-(3,4-dimethoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 400.82 |
| Molecular Formula: | C19 H17 Cl N4 O4 |
| Smiles: | COc1ccc(cc1OC)N1C(C2C(C1=O)N(Cc1cccc(c1)[Cl])N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9716 |
| logD: | 1.9714 |
| logSw: | -2.7925 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.633 |
| InChI Key: | KJWXBROZRVDROM-UHFFFAOYSA-N |