methyl 2-{4-[(1,4-dioxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methyl]benzamido}benzoate
Chemical Structure Depiction of
methyl 2-{4-[(1,4-dioxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methyl]benzamido}benzoate
methyl 2-{4-[(1,4-dioxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methyl]benzamido}benzoate
Compound characteristics
| Compound ID: | E220-0111 |
| Compound Name: | methyl 2-{4-[(1,4-dioxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methyl]benzamido}benzoate |
| Molecular Weight: | 421.45 |
| Molecular Formula: | C23 H23 N3 O5 |
| Smiles: | COC(c1ccccc1NC(c1ccc(CN2CC(N3CCCC3C2=O)=O)cc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3033 |
| logD: | 0.8929 |
| logSw: | -2.4398 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.236 |
| InChI Key: | CUDWBWOGPHOJIQ-IBGZPJMESA-N |