N-(4-bromo-2-fluorophenyl)-4-[(1,4-dioxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methyl]benzamide
Chemical Structure Depiction of
N-(4-bromo-2-fluorophenyl)-4-[(1,4-dioxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methyl]benzamide
N-(4-bromo-2-fluorophenyl)-4-[(1,4-dioxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methyl]benzamide
Compound characteristics
| Compound ID: | E220-0116 |
| Compound Name: | N-(4-bromo-2-fluorophenyl)-4-[(1,4-dioxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methyl]benzamide |
| Molecular Weight: | 460.3 |
| Molecular Formula: | C21 H19 Br F N3 O3 |
| Smiles: | C1CC2C(N(CC(N2C1)=O)Cc1ccc(cc1)C(Nc1ccc(cc1F)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2592 |
| logD: | 1.9719 |
| logSw: | -2.895 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.062 |
| InChI Key: | ZJFMRNDUZHECAN-SFHVURJKSA-N |