1-(4-benzyl-3-oxo-3,4-dihydroquinoxalin-2-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-4-carboxamide
Chemical Structure Depiction of
1-(4-benzyl-3-oxo-3,4-dihydroquinoxalin-2-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-4-carboxamide
1-(4-benzyl-3-oxo-3,4-dihydroquinoxalin-2-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-4-carboxamide
Compound characteristics
| Compound ID: | F448-0114 |
| Compound Name: | 1-(4-benzyl-3-oxo-3,4-dihydroquinoxalin-2-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-4-carboxamide |
| Molecular Weight: | 498.65 |
| Molecular Formula: | C29 H30 N4 O2 S |
| Smiles: | CSc1ccc(CNC(C2CCN(CC2)C2C(N(Cc3ccccc3)c3ccccc3N=2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3705 |
| logD: | 4.3704 |
| logSw: | -4.1048 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.633 |
| InChI Key: | RXLWLPAPGQKIIZ-UHFFFAOYSA-N |