4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5(4H)-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}butanamide
Chemical Structure Depiction of
4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5(4H)-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}butanamide
4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5(4H)-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}butanamide
Compound characteristics
| Compound ID: | E228-3092 |
| Compound Name: | 4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5(4H)-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}butanamide |
| Molecular Weight: | 484.41 |
| Molecular Formula: | C23 H22 Br N3 O2 S |
| Smiles: | CSc1ccc(CNC(CCCN2C(c3cccn3c3ccc(cc23)[Br])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4194 |
| logD: | 4.4194 |
| logSw: | -4.1972 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.416 |
| InChI Key: | ADZIXTJEORGPEG-UHFFFAOYSA-N |