3-[2,3-dioxo-4-(prop-2-en-1-yl)-3,4-dihydroquinoxalin-1(2H)-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}propanamide
Chemical Structure Depiction of
3-[2,3-dioxo-4-(prop-2-en-1-yl)-3,4-dihydroquinoxalin-1(2H)-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}propanamide
3-[2,3-dioxo-4-(prop-2-en-1-yl)-3,4-dihydroquinoxalin-1(2H)-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}propanamide
Compound characteristics
| Compound ID: | L058-0740 |
| Compound Name: | 3-[2,3-dioxo-4-(prop-2-en-1-yl)-3,4-dihydroquinoxalin-1(2H)-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}propanamide |
| Molecular Weight: | 409.51 |
| Molecular Formula: | C22 H23 N3 O3 S |
| Smiles: | CSc1ccc(CNC(CCN2C(C(N(CC=C)c3ccccc23)=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9779 |
| logD: | 2.9779 |
| logSw: | -3.4373 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.223 |
| InChI Key: | DYTIRXCKXQKWFF-UHFFFAOYSA-N |