2-[5-(2,6-dichlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-phenylacetamide
Chemical Structure Depiction of
2-[5-(2,6-dichlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-phenylacetamide
2-[5-(2,6-dichlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-phenylacetamide
Compound characteristics
| Compound ID: | Y502-0101 |
| Compound Name: | 2-[5-(2,6-dichlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-phenylacetamide |
| Molecular Weight: | 418.24 |
| Molecular Formula: | C18 H13 Cl2 N5 O3 |
| Smiles: | C(C(Nc1ccccc1)=O)N1C2C(C(N(C2=O)c2c(cccc2[Cl])[Cl])=O)N=N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3099 |
| logD: | 2.3096 |
| logSw: | -3.033 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.92 |
| InChI Key: | BMPWVECBLLYNGA-UHFFFAOYSA-N |