N-(3-chloro-4-methoxyphenyl)-2-[5-(4-ethoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-2-[5-(4-ethoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
N-(3-chloro-4-methoxyphenyl)-2-[5-(4-ethoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Compound characteristics
| Compound ID: | C433-0159 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-2-[5-(4-ethoxyphenyl)-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: | CCOc1ccc(cc1)N1C(C2C(C1=O)N(CC(Nc1ccc(c(c1)[Cl])OC)=O)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1252 |
| logD: | 2.1249 |
| logSw: | -3.1918 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.276 |
| InChI Key: | NVVVWSMHQKPFLP-UHFFFAOYSA-N |