2-[(5S,8aR)-5,7-dimethyl-3,6-dioxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
Chemical Structure Depiction of
2-[(5S,8aR)-5,7-dimethyl-3,6-dioxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
2-[(5S,8aR)-5,7-dimethyl-3,6-dioxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
Compound characteristics
| Compound ID: | SB42-0950 |
| Compound Name: | 2-[(5S,8aR)-5,7-dimethyl-3,6-dioxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide |
| Molecular Weight: | 433.47 |
| Molecular Formula: | C23 H23 N5 O4 |
| Smiles: | C[C@H]1C(N(C)C[C@@H]2CN(CC(Nc3ccc4c(c3)nc(c3ccccc3)o4)=O)C(N12)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.992 |
| logD: | 1.992 |
| logSw: | -2.8854 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.952 |
| InChI Key: | NJRLJJPSKINALJ-YOEHRIQHSA-N |