N-(5-chloro-2-methylphenyl)-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-(5-chloro-2-methylphenyl)-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-(5-chloro-2-methylphenyl)-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: | C338-0656 |
| Compound Name: | N-(5-chloro-2-methylphenyl)-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: | 457.87 |
| Molecular Formula: | C21 H20 Cl N5 O5 |
| Smiles: | Cc1ccc(cc1NC(CN1C2C(C(N(C2=O)c2ccc(c(c2)OC)OC)=O)N=N1)=O)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.3604 |
| logD: | 1.3602 |
| logSw: | -2.7628 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.085 |
| InChI Key: | AIEVSUWFRIXRAC-UHFFFAOYSA-N |