2-{[(3-bromophenyl)methyl]sulfanyl}-N-octylpyridine-3-carboxamide
Chemical Structure Depiction of
2-{[(3-bromophenyl)methyl]sulfanyl}-N-octylpyridine-3-carboxamide
2-{[(3-bromophenyl)methyl]sulfanyl}-N-octylpyridine-3-carboxamide
Compound characteristics
| Compound ID: | K781-5361 |
| Compound Name: | 2-{[(3-bromophenyl)methyl]sulfanyl}-N-octylpyridine-3-carboxamide |
| Molecular Weight: | 435.43 |
| Molecular Formula: | C21 H27 Br N2 O S |
| Smiles: | CCCCCCCCNC(c1cccnc1SCc1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 6.5069 |
| logD: | 6.5069 |
| logSw: | -5.6249 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.673 |
| InChI Key: | SHQQTRDTOJVXLW-UHFFFAOYSA-N |