2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5-ethyl-4,6-dimethylpyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5-ethyl-4,6-dimethylpyridine-3-carbonitrile
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5-ethyl-4,6-dimethylpyridine-3-carbonitrile
Compound characteristics
Compound ID: | 0655-0190 |
Compound Name: | 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5-ethyl-4,6-dimethylpyridine-3-carbonitrile |
Molecular Weight: | 389.31 |
Molecular Formula: | C18 H17 Br N2 O S |
Smiles: | CCc1c(C)c(C#N)c(nc1C)SCC(c1ccc(cc1)[Br])=O |
Stereo: | ACHIRAL |
logP: | 5.211 |
logD: | 5.211 |
logSw: | -5.1737 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 39.594 |
InChI Key: | JPSYNTBXCHIDKR-UHFFFAOYSA-N |