2-{[3-(4-tert-butylbenzene-1-sulfinyl)-2-hydroxypropyl]sulfanyl}-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[3-(4-tert-butylbenzene-1-sulfinyl)-2-hydroxypropyl]sulfanyl}-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile
2-{[3-(4-tert-butylbenzene-1-sulfinyl)-2-hydroxypropyl]sulfanyl}-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile
Compound characteristics
Compound ID: | 4378-0494 |
Compound Name: | 2-{[3-(4-tert-butylbenzene-1-sulfinyl)-2-hydroxypropyl]sulfanyl}-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile |
Molecular Weight: | 556.75 |
Molecular Formula: | C32 H32 N2 O3 S2 |
Smiles: | CC(C)(C)c1ccc(cc1)S(CC(CSc1c(C#N)c(cc(c2ccc(cc2)OC)n1)c1ccccc1)O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 7.9625 |
logD: | 7.9625 |
logSw: | -5.9043 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 64.803 |
InChI Key: | VQHUJKKORNBIHC-UHFFFAOYSA-N |