N-(4-bromo-3-methylphenyl)-4-[(1,4-dioxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methyl]benzamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-4-[(1,4-dioxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methyl]benzamide
N-(4-bromo-3-methylphenyl)-4-[(1,4-dioxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methyl]benzamide
Compound characteristics
| Compound ID: | E220-0145 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-4-[(1,4-dioxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methyl]benzamide |
| Molecular Weight: | 456.34 |
| Molecular Formula: | C22 H22 Br N3 O3 |
| Smiles: | Cc1cc(ccc1[Br])NC(c1ccc(CN2CC(N3CCCC3C2=O)=O)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5551 |
| logD: | 2.5516 |
| logSw: | -2.8233 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.76 |
| InChI Key: | LMHITKZPFYNEND-IBGZPJMESA-N |