2-{[2-(4-tert-butylbenzene-1-sulfonyl)ethyl]sulfanyl}-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[2-(4-tert-butylbenzene-1-sulfonyl)ethyl]sulfanyl}-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile
2-{[2-(4-tert-butylbenzene-1-sulfonyl)ethyl]sulfanyl}-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 4378-0256 |
| Compound Name: | 2-{[2-(4-tert-butylbenzene-1-sulfonyl)ethyl]sulfanyl}-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile |
| Molecular Weight: | 542.72 |
| Molecular Formula: | C31 H30 N2 O3 S2 |
| Smiles: | CC(C)(C)c1ccc(cc1)S(CCSc1c(C#N)c(cc(c2ccc(cc2)OC)n1)c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 8.0681 |
| logD: | 8.0681 |
| logSw: | -5.9771 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.807 |
| InChI Key: | NCTCPZWZLRJLJD-UHFFFAOYSA-N |