6-(adamantan-1-yl)-2-{[(4-tert-butylphenyl)methyl]sulfanyl}pyridine-3-carbonitrile
Chemical Structure Depiction of
6-(adamantan-1-yl)-2-{[(4-tert-butylphenyl)methyl]sulfanyl}pyridine-3-carbonitrile
6-(adamantan-1-yl)-2-{[(4-tert-butylphenyl)methyl]sulfanyl}pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8294-0245 |
| Compound Name: | 6-(adamantan-1-yl)-2-{[(4-tert-butylphenyl)methyl]sulfanyl}pyridine-3-carbonitrile |
| Molecular Weight: | 416.63 |
| Molecular Formula: | C27 H32 N2 S |
| Smiles: | CC(C)(C)c1ccc(CSc2c(C#N)ccc(C34CC5CC(CC(C5)C4)C3)n2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 8.2216 |
| logD: | 8.2216 |
| logSw: | -6.1455 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 25.5321 |
| InChI Key: | ZCIHIGLKDQRWIY-UHFFFAOYSA-N |