N-(3-chloro-4-methoxyphenyl)-2-{4,6-dioxo-5-[4-(propan-2-yl)phenyl]-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-{4,6-dioxo-5-[4-(propan-2-yl)phenyl]-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl}acetamide
N-(3-chloro-4-methoxyphenyl)-2-{4,6-dioxo-5-[4-(propan-2-yl)phenyl]-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl}acetamide
Compound characteristics
| Compound ID: | C433-0199 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-2-{4,6-dioxo-5-[4-(propan-2-yl)phenyl]-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl}acetamide |
| Molecular Weight: | 455.9 |
| Molecular Formula: | C22 H22 Cl N5 O4 |
| Smiles: | CC(C)c1ccc(cc1)N1C(C2C(C1=O)N(CC(Nc1ccc(c(c1)[Cl])OC)=O)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0945 |
| logD: | 3.0942 |
| logSw: | -3.5526 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.152 |
| InChI Key: | ZEHUSZRVNVBJSK-UHFFFAOYSA-N |