N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5(4H)-yl)butanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5(4H)-yl)butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5(4H)-yl)butanamide
Compound characteristics
| Compound ID: | E228-3000 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5(4H)-yl)butanamide |
| Molecular Weight: | 482.33 |
| Molecular Formula: | C23 H20 Br N3 O4 |
| Smiles: | C(CC(NCc1ccc2c(c1)OCO2)=O)CN1C(c2cccn2c2ccc(cc12)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.6132 |
| logD: | 3.6132 |
| logSw: | -3.6915 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.531 |
| InChI Key: | ORQLSKDXRXUQSP-UHFFFAOYSA-N |