5-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-oxobutyl)-7-fluoropyrrolo[1,2-a]quinoxalin-4(5H)-one
Chemical Structure Depiction of
5-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-oxobutyl)-7-fluoropyrrolo[1,2-a]quinoxalin-4(5H)-one
5-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-oxobutyl)-7-fluoropyrrolo[1,2-a]quinoxalin-4(5H)-one
Compound characteristics
| Compound ID: | E228-2933 |
| Compound Name: | 5-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-oxobutyl)-7-fluoropyrrolo[1,2-a]quinoxalin-4(5H)-one |
| Molecular Weight: | 490.53 |
| Molecular Formula: | C27 H27 F N4 O4 |
| Smiles: | C(CC(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)CN1C(c2cccn2c2ccc(cc12)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8696 |
| logD: | 2.5254 |
| logSw: | -3.2361 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.992 |
| InChI Key: | SUSOVPUBPQQIJZ-UHFFFAOYSA-N |