2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 0892-0761 |
| Compound Name: | 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile |
| Molecular Weight: | 545.45 |
| Molecular Formula: | C28 H21 Br N2 O3 S |
| Smiles: | COc1ccc(cc1)c1cc(c2ccc(cc2)OC)nc(c1C#N)SCC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 7.632 |
| logD: | 7.632 |
| logSw: | -5.7513 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.562 |
| InChI Key: | PYDYSKSKXOXCLR-UHFFFAOYSA-N |