5-(3-chloro-4-methoxyphenyl)-1-[(4-chlorophenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
5-(3-chloro-4-methoxyphenyl)-1-[(4-chlorophenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
5-(3-chloro-4-methoxyphenyl)-1-[(4-chlorophenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | C200-4211 |
| Compound Name: | 5-(3-chloro-4-methoxyphenyl)-1-[(4-chlorophenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 405.24 |
| Molecular Formula: | C18 H14 Cl2 N4 O3 |
| Smiles: | COc1ccc(cc1[Cl])N1C(C2C(C1=O)N(Cc1ccc(cc1)[Cl])N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6285 |
| logD: | 2.628 |
| logSw: | -3.2664 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.003 |
| InChI Key: | GXJBAEVXEWZFHZ-UHFFFAOYSA-N |