N-[3-(methylsulfanyl)phenyl]-3-(4-oxopyrrolo[1,2-a]quinoxalin-5(4H)-yl)propanamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-3-(4-oxopyrrolo[1,2-a]quinoxalin-5(4H)-yl)propanamide
N-[3-(methylsulfanyl)phenyl]-3-(4-oxopyrrolo[1,2-a]quinoxalin-5(4H)-yl)propanamide
Compound characteristics
| Compound ID: | E228-1048 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-3-(4-oxopyrrolo[1,2-a]quinoxalin-5(4H)-yl)propanamide |
| Molecular Weight: | 377.46 |
| Molecular Formula: | C21 H19 N3 O2 S |
| Smiles: | CSc1cccc(c1)NC(CCN1C(c2cccn2c2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8996 |
| logD: | 3.8995 |
| logSw: | -3.9306 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.093 |
| InChI Key: | IMNRVMZSAYZJGL-UHFFFAOYSA-N |