4-[(1,4-dioxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methyl]-N-{3-[ethyl(3-methylphenyl)amino]propyl}benzamide
Chemical Structure Depiction of
4-[(1,4-dioxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methyl]-N-{3-[ethyl(3-methylphenyl)amino]propyl}benzamide
4-[(1,4-dioxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methyl]-N-{3-[ethyl(3-methylphenyl)amino]propyl}benzamide
Compound characteristics
| Compound ID: | E220-0214 |
| Compound Name: | 4-[(1,4-dioxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methyl]-N-{3-[ethyl(3-methylphenyl)amino]propyl}benzamide |
| Molecular Weight: | 462.59 |
| Molecular Formula: | C27 H34 N4 O3 |
| Smiles: | CCN(CCCNC(c1ccc(CN2CC(N3CCCC3C2=O)=O)cc1)=O)c1cccc(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1951 |
| logD: | 2.1668 |
| logSw: | -2.7315 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.914 |
| InChI Key: | MCKHOQMSHWBUMG-DEOSSOPVSA-N |