N-(2H-1,3-benzodioxol-5-yl)-2-[5-(3,4-difluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[5-(3,4-difluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[5-(3,4-difluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Compound characteristics
| Compound ID: | C338-0439 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[5-(3,4-difluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide |
| Molecular Weight: | 429.34 |
| Molecular Formula: | C19 H13 F2 N5 O5 |
| Smiles: | C(C(Nc1ccc2c(c1)OCO2)=O)N1C2C(C(N(C2=O)c2ccc(c(c2)F)F)=O)N=N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.4467 |
| logD: | 1.4465 |
| logSw: | -2.337 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.637 |
| InChI Key: | GOEJWZSECZPHNV-UHFFFAOYSA-N |