2-{[4-(azepan-1-yl)pyrimidin-2-yl]sulfanyl}-N-(3-ethylphenyl)acetamide
Chemical Structure Depiction of
2-{[4-(azepan-1-yl)pyrimidin-2-yl]sulfanyl}-N-(3-ethylphenyl)acetamide
2-{[4-(azepan-1-yl)pyrimidin-2-yl]sulfanyl}-N-(3-ethylphenyl)acetamide
Compound characteristics
| Compound ID: | M459-2808 |
| Compound Name: | 2-{[4-(azepan-1-yl)pyrimidin-2-yl]sulfanyl}-N-(3-ethylphenyl)acetamide |
| Molecular Weight: | 370.52 |
| Molecular Formula: | C20 H26 N4 O S |
| Smiles: | CCc1cccc(c1)NC(CSc1nccc(n1)N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1056 |
| logD: | 5.1056 |
| logSw: | -4.8945 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.089 |
| InChI Key: | VXILBFYJJFLKQZ-UHFFFAOYSA-N |