2-[(5S,8aR)-5,7-dimethyl-3,6-dioxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]-N-{3-[methyl(phenyl)amino]propyl}acetamide
Chemical Structure Depiction of
2-[(5S,8aR)-5,7-dimethyl-3,6-dioxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]-N-{3-[methyl(phenyl)amino]propyl}acetamide
2-[(5S,8aR)-5,7-dimethyl-3,6-dioxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]-N-{3-[methyl(phenyl)amino]propyl}acetamide
Compound characteristics
| Compound ID: | SB42-1099 |
| Compound Name: | 2-[(5S,8aR)-5,7-dimethyl-3,6-dioxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]-N-{3-[methyl(phenyl)amino]propyl}acetamide |
| Molecular Weight: | 387.48 |
| Molecular Formula: | C20 H29 N5 O3 |
| Smiles: | C[C@H]1C(N(C)C[C@@H]2CN(CC(NCCCN(C)c3ccccc3)=O)C(N12)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | -0.1611 |
| logD: | -0.1668 |
| logSw: | -1.8292 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.51 |
| InChI Key: | DYMULPCQDRIVEH-RDJZCZTQSA-N |