N-(4-{[(6,7-dimethyl-3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}phenyl)-3-methylbenzamide
Chemical Structure Depiction of
N-(4-{[(6,7-dimethyl-3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}phenyl)-3-methylbenzamide
N-(4-{[(6,7-dimethyl-3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}phenyl)-3-methylbenzamide
Compound characteristics
| Compound ID: | L780-0013 |
| Compound Name: | N-(4-{[(6,7-dimethyl-3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]sulfanyl}phenyl)-3-methylbenzamide |
| Molecular Weight: | 429.54 |
| Molecular Formula: | C25 H23 N3 O2 S |
| Smiles: | Cc1cccc(c1)C(Nc1ccc(cc1)SCC1C(Nc2cc(C)c(C)cc2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2844 |
| logD: | 5.2839 |
| logSw: | -5.2346 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.948 |
| InChI Key: | CCQWXXYNOLQBKY-UHFFFAOYSA-N |