2-[5-(3-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(4-phenoxyphenyl)acetamide
Chemical Structure Depiction of
2-[5-(3-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(4-phenoxyphenyl)acetamide
2-[5-(3-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(4-phenoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C433-0031 |
| Compound Name: | 2-[5-(3-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(4-phenoxyphenyl)acetamide |
| Molecular Weight: | 475.89 |
| Molecular Formula: | C24 H18 Cl N5 O4 |
| Smiles: | C(C(Nc1ccc(cc1)Oc1ccccc1)=O)N1C2C(C(N(C2=O)c2cccc(c2)[Cl])=O)N=N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5752 |
| logD: | 3.575 |
| logSw: | -4.0496 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.27 |
| InChI Key: | AUJFICOXWHPAQO-UHFFFAOYSA-N |