N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(4-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(4-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(4-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Compound characteristics
| Compound ID: | C338-0321 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(4-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide |
| Molecular Weight: | 425.37 |
| Molecular Formula: | C20 H16 F N5 O5 |
| Smiles: | C(C(Nc1ccc2c(c1)OCCO2)=O)N1C2C(C(N(C2=O)c2ccc(cc2)F)=O)N=N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.2473 |
| logD: | 0.2472 |
| logSw: | -2.1997 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.345 |
| InChI Key: | RZZRTAUGFWTTAH-UHFFFAOYSA-N |