N-[(3-bromophenyl)methyl]-4-[(1,4-dioxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methyl]benzamide
Chemical Structure Depiction of
N-[(3-bromophenyl)methyl]-4-[(1,4-dioxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methyl]benzamide
N-[(3-bromophenyl)methyl]-4-[(1,4-dioxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methyl]benzamide
Compound characteristics
Compound ID: | E220-0279 |
Compound Name: | N-[(3-bromophenyl)methyl]-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: | C1CC2C(N(CC(N2C1)=O)Cc1ccc(cc1)C(NCc1cccc(c1)[Br])=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 1.7993 |
logD: | 1.7992 |
logSw: | -2.2613 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 58.082 |
InChI Key: | MITHOQVKOIDEAP-IBGZPJMESA-N |