2-{[(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)methyl]sulfanyl}-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)methyl]sulfanyl}-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile
2-{[(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)methyl]sulfanyl}-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8014-8800 |
| Compound Name: | 2-{[(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)methyl]sulfanyl}-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile |
| Molecular Weight: | 489.64 |
| Molecular Formula: | C31 H27 N3 O S |
| Smiles: | CC1(C)Cc2ccccc2C(CSc2c(C#N)c(cc(c3ccccc3)n2)c2ccc(cc2)OC)=N1 |
| Stereo: | ACHIRAL |
| logP: | 7.7356 |
| logD: | 7.6501 |
| logSw: | -5.9497 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.547 |
| InChI Key: | AETMAMHUYNEGCH-UHFFFAOYSA-N |