4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5(4H)-yl)-N-[3-(methylsulfanyl)phenyl]butanamide
Chemical Structure Depiction of
4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5(4H)-yl)-N-[3-(methylsulfanyl)phenyl]butanamide
4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5(4H)-yl)-N-[3-(methylsulfanyl)phenyl]butanamide
Compound characteristics
| Compound ID: | E228-3032 |
| Compound Name: | 4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5(4H)-yl)-N-[3-(methylsulfanyl)phenyl]butanamide |
| Molecular Weight: | 470.39 |
| Molecular Formula: | C22 H20 Br N3 O2 S |
| Smiles: | CSc1cccc(c1)NC(CCCN1C(c2cccn2c2ccc(cc12)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4608 |
| logD: | 4.4608 |
| logSw: | -4.2226 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.093 |
| InChI Key: | DECYGQFMCNEGMY-UHFFFAOYSA-N |