N-(2-chloro-4-methylphenyl)-4-[(1,4-dioxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methyl]benzamide
Chemical Structure Depiction of
N-(2-chloro-4-methylphenyl)-4-[(1,4-dioxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methyl]benzamide
N-(2-chloro-4-methylphenyl)-4-[(1,4-dioxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methyl]benzamide
Compound characteristics
| Compound ID: | E220-0132 |
| Compound Name: | N-(2-chloro-4-methylphenyl)-4-[(1,4-dioxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methyl]benzamide |
| Molecular Weight: | 411.89 |
| Molecular Formula: | C22 H22 Cl N3 O3 |
| Smiles: | Cc1ccc(c(c1)[Cl])NC(c1ccc(CN2CC(N3CCCC3C2=O)=O)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3025 |
| logD: | 2.294 |
| logSw: | -3.3679 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.062 |
| InChI Key: | OTQMXSNAWOZDSV-IBGZPJMESA-N |