N-methyl-3-(4-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)propanamide
Chemical Structure Depiction of
N-methyl-3-(4-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)propanamide
N-methyl-3-(4-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)propanamide
Compound characteristics
| Compound ID: | L866-2102 |
| Compound Name: | N-methyl-3-(4-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-3-oxo-3,4-dihydroquinoxalin-2-yl)propanamide |
| Molecular Weight: | 410.49 |
| Molecular Formula: | C21 H22 N4 O3 S |
| Smiles: | CNC(CCC1C(N(CC(Nc2cccc(c2)SC)=O)c2ccccc2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6588 |
| logD: | 1.6588 |
| logSw: | -2.5999 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.125 |
| InChI Key: | PTBZMYCBHCUAFV-UHFFFAOYSA-N |