N-(4-{[(6,7-dimethyl-3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}phenyl)-2-methylpropanamide
Chemical Structure Depiction of
N-(4-{[(6,7-dimethyl-3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}phenyl)-2-methylpropanamide
N-(4-{[(6,7-dimethyl-3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}phenyl)-2-methylpropanamide
Compound characteristics
| Compound ID: | L780-0045 |
| Compound Name: | N-(4-{[(6,7-dimethyl-3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}phenyl)-2-methylpropanamide |
| Molecular Weight: | 381.5 |
| Molecular Formula: | C21 H23 N3 O2 S |
| Smiles: | CC(C)C(Nc1ccc(cc1)SCC1C(Nc2cc(C)c(C)cc2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2536 |
| logD: | 4.2536 |
| logSw: | -4.2373 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.219 |
| InChI Key: | ZECSRUHZDNFBCB-UHFFFAOYSA-N |