1-(3-methoxyphenyl)-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-(3-methoxyphenyl)-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-(3-methoxyphenyl)-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | L109-0034 |
| Compound Name: | 1-(3-methoxyphenyl)-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 322.32 |
| Molecular Formula: | C17 H14 N4 O3 |
| Smiles: | COc1cccc(c1)N1C2C(C(N(C2=O)c2ccccc2)=O)N=N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9826 |
| logD: | 1.9824 |
| logSw: | -2.3597 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.497 |
| InChI Key: | HZCDZYSJORTYCS-UHFFFAOYSA-N |