N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(3,4-dimethoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(3,4-dimethoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(3,4-dimethoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Compound characteristics
| Compound ID: | C338-0653 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(3,4-dimethoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide |
| Molecular Weight: | 467.44 |
| Molecular Formula: | C22 H21 N5 O7 |
| Smiles: | COc1ccc(cc1OC)N1C(C2C(C1=O)N(CC(Nc1ccc3c(c1)OCCO3)=O)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.1241 |
| logD: | -0.1242 |
| logSw: | -2.202 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.606 |
| InChI Key: | WVHNGSMLXSKIQV-UHFFFAOYSA-N |