N-(3,5-dimethoxyphenyl)-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-(3,5-dimethoxyphenyl)-2-[5-(4-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
N-(3,5-dimethoxyphenyl)-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: | C338-0297 |
| Compound Name: | N-(3,5-dimethoxyphenyl)-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: | 427.39 |
| Molecular Formula: | C20 H18 F N5 O5 |
| Smiles: | COc1cc(cc(c1)OC)NC(CN1C2C(C(N(C2=O)c2ccc(cc2)F)=O)N=N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.4138 |
| logD: | 1.4136 |
| logSw: | -2.3891 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.609 |
| InChI Key: | YRIQNYYRZFVXLA-UHFFFAOYSA-N |