N-(2H-1,3-benzodioxol-5-yl)-2-[5-(3-chloro-4-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[5-(3-chloro-4-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[5-(3-chloro-4-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Compound characteristics
| Compound ID: | C338-0368 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[5-(3-chloro-4-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide |
| Molecular Weight: | 457.83 |
| Molecular Formula: | C20 H16 Cl N5 O6 |
| Smiles: | COc1ccc(cc1[Cl])N1C(C2C(C1=O)N(CC(Nc1ccc3c(c1)OCO3)=O)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.454 |
| logD: | 1.4538 |
| logSw: | -2.7342 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.268 |
| InChI Key: | XAXXYCDWYGFSQR-UHFFFAOYSA-N |