2-{[4-(azepan-1-yl)pyrimidin-2-yl]sulfanyl}-N-(3-chloro-4-fluorophenyl)acetamide
Chemical Structure Depiction of
2-{[4-(azepan-1-yl)pyrimidin-2-yl]sulfanyl}-N-(3-chloro-4-fluorophenyl)acetamide
2-{[4-(azepan-1-yl)pyrimidin-2-yl]sulfanyl}-N-(3-chloro-4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | M459-2884 |
| Compound Name: | 2-{[4-(azepan-1-yl)pyrimidin-2-yl]sulfanyl}-N-(3-chloro-4-fluorophenyl)acetamide |
| Molecular Weight: | 394.9 |
| Molecular Formula: | C18 H20 Cl F N4 O S |
| Smiles: | C1CCCN(CC1)c1ccnc(n1)SCC(Nc1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0453 |
| logD: | 5.0376 |
| logSw: | -5.2513 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.089 |
| InChI Key: | OCTJFFOKXSDLHN-UHFFFAOYSA-N |