N-(3,5-dimethylphenyl)-2-[5-(4-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Chemical Structure Depiction of
N-(3,5-dimethylphenyl)-2-[5-(4-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
N-(3,5-dimethylphenyl)-2-[5-(4-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Compound characteristics
| Compound ID: | C433-0063 |
| Compound Name: | N-(3,5-dimethylphenyl)-2-[5-(4-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide |
| Molecular Weight: | 407.43 |
| Molecular Formula: | C21 H21 N5 O4 |
| Smiles: | Cc1cc(C)cc(c1)NC(CN1C2C(C(N(C2=O)c2ccc(cc2)OC)=O)N=N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.921 |
| logD: | 1.9209 |
| logSw: | -2.7857 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.066 |
| InChI Key: | OAFSITVQLFRLMJ-UHFFFAOYSA-N |