6-(4-methoxyphenyl)-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}pyridine-3-carbonitrile
Chemical Structure Depiction of
6-(4-methoxyphenyl)-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}pyridine-3-carbonitrile
6-(4-methoxyphenyl)-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}pyridine-3-carbonitrile
Compound characteristics
Compound ID: | D360-0605 |
Compound Name: | 6-(4-methoxyphenyl)-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}pyridine-3-carbonitrile |
Molecular Weight: | 390.46 |
Molecular Formula: | C22 H18 N2 O3 S |
Smiles: | COc1ccc(cc1)C(CSc1c(C#N)ccc(c2ccc(cc2)OC)n1)=O |
Stereo: | ACHIRAL |
logP: | 4.8013 |
logD: | 4.8013 |
logSw: | -4.663 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 53.833 |
InChI Key: | IMUVSZHDKUGRTN-UHFFFAOYSA-N |