2-{[4-(azepan-1-yl)pyrimidin-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
Chemical Structure Depiction of
2-{[4-(azepan-1-yl)pyrimidin-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
2-{[4-(azepan-1-yl)pyrimidin-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | M459-2811 |
| Compound Name: | 2-{[4-(azepan-1-yl)pyrimidin-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide |
| Molecular Weight: | 384.54 |
| Molecular Formula: | C21 H28 N4 O S |
| Smiles: | CC(C)c1ccc(cc1)NC(CSc1nccc(n1)N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6533 |
| logD: | 5.6533 |
| logSw: | -5.2213 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.089 |
| InChI Key: | VCTRPIXFJWOMFW-UHFFFAOYSA-N |