methyl (4,6-dimethyl-2,5-dioxo-3a,6a-diphenylhexahydroimidazo[4,5-d]imidazol-1(2H)-yl)acetate
Chemical Structure Depiction of
methyl (4,6-dimethyl-2,5-dioxo-3a,6a-diphenylhexahydroimidazo[4,5-d]imidazol-1(2H)-yl)acetate
methyl (4,6-dimethyl-2,5-dioxo-3a,6a-diphenylhexahydroimidazo[4,5-d]imidazol-1(2H)-yl)acetate
Compound characteristics
| Compound ID: | 8019-0295 |
| Compound Name: | methyl (4,6-dimethyl-2,5-dioxo-3a,6a-diphenylhexahydroimidazo[4,5-d]imidazol-1(2H)-yl)acetate |
| Molecular Weight: | 394.43 |
| Molecular Formula: | C21 H22 N4 O4 |
| Smiles: | CN1C(N(C)C2(c3ccccc3)C1(c1ccccc1)NC(N2CC(=O)OC)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8526 |
| logD: | 2.8523 |
| logSw: | -3.3259 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.296 |
| InChI Key: | HNEONGBSPCXBGI-UHFFFAOYSA-N |