4-{4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}-N-[3-(methylsulfanyl)phenyl]piperazine-1-carboxamide
Chemical Structure Depiction of
4-{4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}-N-[3-(methylsulfanyl)phenyl]piperazine-1-carboxamide
4-{4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}-N-[3-(methylsulfanyl)phenyl]piperazine-1-carboxamide
Compound characteristics
| Compound ID: | F678-0306 |
| Compound Name: | 4-{4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}-N-[3-(methylsulfanyl)phenyl]piperazine-1-carboxamide |
| Molecular Weight: | 499.63 |
| Molecular Formula: | C28 H29 N5 O2 S |
| Smiles: | Cc1ccc(CN2C(C(=Nc3ccccc23)N2CCN(CC2)C(Nc2cccc(c2)SC)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6828 |
| logD: | 4.6828 |
| logSw: | -4.3421 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.497 |
| InChI Key: | GGJQMEXMUNRLEC-UHFFFAOYSA-N |