N-(5-chloro-2,4-dimethoxyphenyl)-2-[5-(4-chlorophenyl)-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-2,4-dimethoxyphenyl)-2-[5-(4-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
N-(5-chloro-2,4-dimethoxyphenyl)-2-[5-(4-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Compound characteristics
| Compound ID: | C338-0198 |
| Compound Name: | N-(5-chloro-2,4-dimethoxyphenyl)-2-[5-(4-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide |
| Molecular Weight: | 478.29 |
| Molecular Formula: | C20 H17 Cl2 N5 O5 |
| Smiles: | COc1cc(c(cc1NC(CN1C2C(C(N(C2=O)c2ccc(cc2)[Cl])=O)N=N1)=O)[Cl])OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1392 |
| logD: | 2.131 |
| logSw: | -3.1246 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.085 |
| InChI Key: | YETHGPXLEZDVKA-UHFFFAOYSA-N |