1-(4-chlorophenyl)-5-(3-methoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-(4-chlorophenyl)-5-(3-methoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-(4-chlorophenyl)-5-(3-methoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | L109-0677 |
| Compound Name: | 1-(4-chlorophenyl)-5-(3-methoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 356.77 |
| Molecular Formula: | C17 H13 Cl N4 O3 |
| Smiles: | COc1cccc(c1)N1C(C2C(C1=O)N(c1ccc(cc1)[Cl])N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7296 |
| logD: | 2.7291 |
| logSw: | -3.3415 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.497 |
| InChI Key: | DPSFPTRORFQEDU-UHFFFAOYSA-N |