2-[5-(3-chloro-4-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(4-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-[5-(3-chloro-4-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(4-methoxyphenyl)acetamide
2-[5-(3-chloro-4-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C338-0563 |
| Compound Name: | 2-[5-(3-chloro-4-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(4-methoxyphenyl)acetamide |
| Molecular Weight: | 431.81 |
| Molecular Formula: | C19 H15 Cl F N5 O4 |
| Smiles: | COc1ccc(cc1)NC(CN1C2C(C(N(C2=O)c2ccc(c(c2)[Cl])F)=O)N=N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.8228 |
| logD: | 1.8226 |
| logSw: | -2.9281 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.066 |
| InChI Key: | KKZLDFGOINJPSF-UHFFFAOYSA-N |