5-(3,4-dimethoxyphenyl)-1-[(3-methylphenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
5-(3,4-dimethoxyphenyl)-1-[(3-methylphenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
5-(3,4-dimethoxyphenyl)-1-[(3-methylphenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | C433-0604 |
| Compound Name: | 5-(3,4-dimethoxyphenyl)-1-[(3-methylphenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 380.4 |
| Molecular Formula: | C20 H20 N4 O4 |
| Smiles: | Cc1cccc(CN2C3C(C(N(C3=O)c3ccc(c(c3)OC)OC)=O)N=N2)c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9627 |
| logD: | 1.9625 |
| logSw: | -2.4062 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.633 |
| InChI Key: | JXQMVERQSGIIMI-UHFFFAOYSA-N |