2-{[4-(azepan-1-yl)pyrimidin-2-yl]sulfanyl}-N-(4-butylphenyl)acetamide
Chemical Structure Depiction of
2-{[4-(azepan-1-yl)pyrimidin-2-yl]sulfanyl}-N-(4-butylphenyl)acetamide
2-{[4-(azepan-1-yl)pyrimidin-2-yl]sulfanyl}-N-(4-butylphenyl)acetamide
Compound characteristics
| Compound ID: | M459-2812 |
| Compound Name: | 2-{[4-(azepan-1-yl)pyrimidin-2-yl]sulfanyl}-N-(4-butylphenyl)acetamide |
| Molecular Weight: | 398.57 |
| Molecular Formula: | C22 H30 N4 O S |
| Smiles: | CCCCc1ccc(cc1)NC(CSc1nccc(n1)N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2843 |
| logD: | 6.2843 |
| logSw: | -5.3227 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.089 |
| InChI Key: | KMOYPUJYJHADQN-UHFFFAOYSA-N |