N-{[4-(methylsulfanyl)phenyl]methyl}-4-oxo-4-(pyrrolo[1,2-a]quinoxalin-5(4H)-yl)butanamide
Chemical Structure Depiction of
N-{[4-(methylsulfanyl)phenyl]methyl}-4-oxo-4-(pyrrolo[1,2-a]quinoxalin-5(4H)-yl)butanamide
N-{[4-(methylsulfanyl)phenyl]methyl}-4-oxo-4-(pyrrolo[1,2-a]quinoxalin-5(4H)-yl)butanamide
Compound characteristics
| Compound ID: | L163-0182 |
| Compound Name: | N-{[4-(methylsulfanyl)phenyl]methyl}-4-oxo-4-(pyrrolo[1,2-a]quinoxalin-5(4H)-yl)butanamide |
| Molecular Weight: | 405.52 |
| Molecular Formula: | C23 H23 N3 O2 S |
| Smiles: | [H]c1ccc2c(c1)N(Cc1cccn12)C(CCC(NCc1ccc(cc1)SC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.548 |
| logD: | 3.548 |
| logSw: | -3.7882 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.397 |
| InChI Key: | YUSPXYKNRDFDEJ-UHFFFAOYSA-N |