2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-4,5,6-trimethylpyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-4,5,6-trimethylpyridine-3-carbonitrile
2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-4,5,6-trimethylpyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 1085-1052 |
| Compound Name: | 2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-4,5,6-trimethylpyridine-3-carbonitrile |
| Molecular Weight: | 324.44 |
| Molecular Formula: | C19 H20 N2 O S |
| Smiles: | Cc1ccc(C(CSc2c(C#N)c(C)c(C)c(C)n2)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.9979 |
| logD: | 4.9979 |
| logSw: | -4.7242 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.594 |
| InChI Key: | TZBGCMSGIIGINO-UHFFFAOYSA-N |