7-tert-butyl-2-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
7-tert-butyl-2-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
7-tert-butyl-2-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8008-1688 |
| Compound Name: | 7-tert-butyl-2-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile |
| Molecular Weight: | 448.65 |
| Molecular Formula: | C26 H28 N2 O S2 |
| Smiles: | CC(C)(C)C1CCc2c(c(C#N)c(nc2C1)SCc1cccc(c1)OC)c1cccs1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.5434 |
| logD: | 7.5433 |
| logSw: | -5.9061 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 35.482 |
| InChI Key: | LFAUMQUEKOQCRD-GOSISDBHSA-N |