2-{[2-(4-butylphenyl)-2-oxoethyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[2-(4-butylphenyl)-2-oxoethyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile
2-{[2-(4-butylphenyl)-2-oxoethyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 0892-0527 |
| Compound Name: | 2-{[2-(4-butylphenyl)-2-oxoethyl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile |
| Molecular Weight: | 338.47 |
| Molecular Formula: | C20 H22 N2 O S |
| Smiles: | CCCCc1ccc(cc1)C(CSc1c(C#N)c(C)cc(C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2555 |
| logD: | 5.2555 |
| logSw: | -5.129 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.824 |
| InChI Key: | MHMXBZWVUXKFKQ-UHFFFAOYSA-N |