N-(3-chloro-2-methylphenyl)-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-(3-chloro-2-methylphenyl)-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-(3-chloro-2-methylphenyl)-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: | C338-0442 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-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: | 433.8 |
| Molecular Formula: | C19 H14 Cl F2 N5 O3 |
| Smiles: | Cc1c(cccc1[Cl])NC(CN1C2C(C(N(C2=O)c2ccc(c(c2)F)F)=O)N=N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.421 |
| logD: | 2.4207 |
| logSw: | -3.3419 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.824 |
| InChI Key: | LICGIZAKOGILKS-UHFFFAOYSA-N |