2-[5-(3-chloro-4-methoxyphenyl)-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-chloro-4-methoxyphenyl)-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-chloro-4-methoxyphenyl)-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: | C338-0384 |
| Compound Name: | 2-[5-(3-chloro-4-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(4-phenoxyphenyl)acetamide |
| Molecular Weight: | 505.92 |
| Molecular Formula: | C25 H20 Cl N5 O5 |
| Smiles: | COc1ccc(cc1[Cl])N1C(C2C(C1=O)N(CC(Nc1ccc(cc1)Oc1ccccc1)=O)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.311 |
| logD: | 3.3108 |
| logSw: | -3.8932 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.9 |
| InChI Key: | DTOFMQGJSQWVEH-UHFFFAOYSA-N |