2-{[4-(azepan-1-yl)pyrimidin-2-yl]sulfanyl}-N-(4-bromophenyl)acetamide
Chemical Structure Depiction of
2-{[4-(azepan-1-yl)pyrimidin-2-yl]sulfanyl}-N-(4-bromophenyl)acetamide
2-{[4-(azepan-1-yl)pyrimidin-2-yl]sulfanyl}-N-(4-bromophenyl)acetamide
Compound characteristics
| Compound ID: | M459-2880 |
| Compound Name: | 2-{[4-(azepan-1-yl)pyrimidin-2-yl]sulfanyl}-N-(4-bromophenyl)acetamide |
| Molecular Weight: | 421.36 |
| Molecular Formula: | C18 H21 Br N4 O S |
| Smiles: | C1CCCN(CC1)c1ccnc(n1)SCC(Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.149 |
| logD: | 5.1489 |
| logSw: | -5.1016 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.089 |
| InChI Key: | RMZQVQPPSWZACN-UHFFFAOYSA-N |