N-(5-chloro-2-methylphenyl)-2-{[3-(pyrrolidin-1-yl)quinoxalin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(5-chloro-2-methylphenyl)-2-{[3-(pyrrolidin-1-yl)quinoxalin-2-yl]sulfanyl}acetamide
N-(5-chloro-2-methylphenyl)-2-{[3-(pyrrolidin-1-yl)quinoxalin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 7472-0179 |
| Compound Name: | N-(5-chloro-2-methylphenyl)-2-{[3-(pyrrolidin-1-yl)quinoxalin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 412.94 |
| Molecular Formula: | C21 H21 Cl N4 O S |
| Smiles: | Cc1ccc(cc1NC(CSc1c(nc2ccccc2n1)N1CCCC1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.1321 |
| logD: | 5.1318 |
| logSw: | -5.4726 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.234 |
| InChI Key: | KSHIYSQPBUHCTG-UHFFFAOYSA-N |