2-[5-(4-ethoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-[5-(4-ethoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
2-[5-(4-ethoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | C433-0155 |
| Compound Name: | 2-[5-(4-ethoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 439.49 |
| Molecular Formula: | C21 H21 N5 O4 S |
| Smiles: | CCOc1ccc(cc1)N1C(C2C(C1=O)N(CC(Nc1cccc(c1)SC)=O)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0755 |
| logD: | 2.0755 |
| logSw: | -2.9709 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.646 |
| InChI Key: | RNLUDMGEZLHVNK-UHFFFAOYSA-N |