4-(4-ethyl-3-oxo-3,4-dihydroquinoxalin-2-yl)-N-[3-(methylsulfanyl)phenyl]piperazine-1-carboxamide
Chemical Structure Depiction of
4-(4-ethyl-3-oxo-3,4-dihydroquinoxalin-2-yl)-N-[3-(methylsulfanyl)phenyl]piperazine-1-carboxamide
4-(4-ethyl-3-oxo-3,4-dihydroquinoxalin-2-yl)-N-[3-(methylsulfanyl)phenyl]piperazine-1-carboxamide
Compound characteristics
| Compound ID: | F678-0142 |
| Compound Name: | 4-(4-ethyl-3-oxo-3,4-dihydroquinoxalin-2-yl)-N-[3-(methylsulfanyl)phenyl]piperazine-1-carboxamide |
| Molecular Weight: | 423.54 |
| Molecular Formula: | C22 H25 N5 O2 S |
| Smiles: | CCN1C(C(=Nc2ccccc12)N1CCN(CC1)C(Nc1cccc(c1)SC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9574 |
| logD: | 2.9571 |
| logSw: | -3.5144 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.493 |
| InChI Key: | MCEAEUVZUYFFEL-UHFFFAOYSA-N |