5-(3-chlorophenyl)-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-chlorophenyl)-1-[(3-methylphenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
5-(3-chlorophenyl)-1-[(3-methylphenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | C433-0523 |
| Compound Name: | 5-(3-chlorophenyl)-1-[(3-methylphenyl)methyl]-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: | Cc1cccc(CN2C3C(C(N(C3=O)c3cccc(c3)[Cl])=O)N=N2)c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9446 |
| logD: | 2.9441 |
| logSw: | -3.2762 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.373 |
| InChI Key: | GQHSKKGWCFLXEK-UHFFFAOYSA-N |