1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-(2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl)butane-1,4-dione
Chemical Structure Depiction of
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-(2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl)butane-1,4-dione
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-(2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl)butane-1,4-dione
Compound characteristics
| Compound ID: | G212-0296 |
| Compound Name: | 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-(2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl)butane-1,4-dione |
| Molecular Weight: | 476.58 |
| Molecular Formula: | C27 H32 N4 O4 |
| Smiles: | C1CC2CN(C(CCC(N3CCN(CC3)Cc3ccc4c(c3)OCO4)=O)=O)c3ccccc3N2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3008 |
| logD: | 1.9565 |
| logSw: | -2.7121 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.999 |
| InChI Key: | XTIDFTFGQULOBZ-OAQYLSRUSA-N |