2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8003-0185 |
| Compound Name: | 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile |
| Molecular Weight: | 361.26 |
| Molecular Formula: | C16 H13 Br N2 O S |
| Smiles: | Cc1cc(C)nc(c1C#N)SCC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1202 |
| logD: | 4.1202 |
| logSw: | -4.3686 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.824 |
| InChI Key: | MNAVBXAZJURASL-UHFFFAOYSA-N |