2-{[(4-tert-butylphenyl)methyl]sulfanyl}-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-{[(4-tert-butylphenyl)methyl]sulfanyl}-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
2-{[(4-tert-butylphenyl)methyl]sulfanyl}-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 2434-0079 |
| Compound Name: | 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile |
| Molecular Weight: | 418.62 |
| Molecular Formula: | C25 H26 N2 S2 |
| Smiles: | CC(C)(C)c1ccc(CSc2c(C#N)c(c3CCCCc3n2)c2cccs2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 7.549 |
| logD: | 7.549 |
| logSw: | -5.8415 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 27.9386 |
| InChI Key: | VZTKAVIWVWQKCW-UHFFFAOYSA-N |