ethyl 4-{2-[5-(3,4-dimethoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[5-(3,4-dimethoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamido}benzoate
ethyl 4-{2-[5-(3,4-dimethoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | C338-0667 |
| Compound Name: | ethyl 4-{2-[5-(3,4-dimethoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamido}benzoate |
| Molecular Weight: | 481.46 |
| Molecular Formula: | C23 H23 N5 O7 |
| Smiles: | CCOC(c1ccc(cc1)NC(CN1C2C(C(N(C2=O)c2ccc(c(c2)OC)OC)=O)N=N1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.5047 |
| logD: | 1.5046 |
| logSw: | -2.4057 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 116.536 |
| InChI Key: | FWNIKQHGBXDTAJ-UHFFFAOYSA-N |