2-{[4-(azepan-1-yl)pyrimidin-2-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[4-(azepan-1-yl)pyrimidin-2-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide
2-{[4-(azepan-1-yl)pyrimidin-2-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | M459-2832 |
| Compound Name: | 2-{[4-(azepan-1-yl)pyrimidin-2-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 388.55 |
| Molecular Formula: | C19 H24 N4 O S2 |
| Smiles: | CSc1cccc(c1)NC(CSc1nccc(n1)N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.776 |
| logD: | 4.776 |
| logSw: | -4.4327 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.089 |
| InChI Key: | CHDSJKSUZJMDRD-UHFFFAOYSA-N |