2-[5-(4-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Chemical Structure Depiction of
2-[5-(4-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
2-[5-(4-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Compound characteristics
Compound ID: | C338-0185 |
Compound Name: | 2-[5-(4-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide |
Molecular Weight: | 441.83 |
Molecular Formula: | C20 H16 Cl N5 O5 |
Smiles: | C(C(Nc1ccc2c(c1)OCCO2)=O)N1C2C(C(N(C2=O)c2ccc(cc2)[Cl])=O)N=N1 |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 0.8129 |
logD: | 0.8128 |
logSw: | -2.5816 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 96.345 |
InChI Key: | JWZPNJPRPBHIEP-UHFFFAOYSA-N |