2-[5-(3-chloro-4-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-[5-(3-chloro-4-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-[(4-methylphenyl)methyl]acetamide
2-[5-(3-chloro-4-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | C338-0385 |
| Compound Name: | 2-[5-(3-chloro-4-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 441.87 |
| Molecular Formula: | C21 H20 Cl N5 O4 |
| Smiles: | Cc1ccc(CNC(CN2C3C(C(N(C3=O)c3ccc(c(c3)[Cl])OC)=O)N=N2)=O)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.622 |
| logD: | 1.6219 |
| logSw: | -2.7411 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.474 |
| InChI Key: | OVWBGISCGRDQHF-UHFFFAOYSA-N |