4-(4-benzyl-3-oxo-3,4-dihydroquinoxalin-2-yl)-N-[3-(methylsulfanyl)phenyl]piperazine-1-carboxamide
Chemical Structure Depiction of
4-(4-benzyl-3-oxo-3,4-dihydroquinoxalin-2-yl)-N-[3-(methylsulfanyl)phenyl]piperazine-1-carboxamide
4-(4-benzyl-3-oxo-3,4-dihydroquinoxalin-2-yl)-N-[3-(methylsulfanyl)phenyl]piperazine-1-carboxamide
Compound characteristics
| Compound ID: | F678-0055 |
| Compound Name: | 4-(4-benzyl-3-oxo-3,4-dihydroquinoxalin-2-yl)-N-[3-(methylsulfanyl)phenyl]piperazine-1-carboxamide |
| Molecular Weight: | 485.61 |
| Molecular Formula: | C27 H27 N5 O2 S |
| Smiles: | CSc1cccc(c1)NC(N1CCN(CC1)C1C(N(Cc2ccccc2)c2ccccc2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2595 |
| logD: | 4.2594 |
| logSw: | -4.2425 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.497 |
| InChI Key: | ZEEQLRXQAKTJHI-UHFFFAOYSA-N |