6-tert-butyl-2-{[(2-chlorophenyl)methyl]sulfanyl}-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
6-tert-butyl-2-{[(2-chlorophenyl)methyl]sulfanyl}-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
6-tert-butyl-2-{[(2-chlorophenyl)methyl]sulfanyl}-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Compound characteristics
Compound ID: | 8009-9340 |
Compound Name: | 6-tert-butyl-2-{[(2-chlorophenyl)methyl]sulfanyl}-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile |
Molecular Weight: | 447.04 |
Molecular Formula: | C27 H27 Cl N2 S |
Smiles: | CC(C)(C)C1CCc2c(C1)c(c1ccccc1)c(C#N)c(n2)SCc1ccccc1[Cl] |
Stereo: | RACEMIC MIXTURE |
logP: | 8.4045 |
logD: | 8.4045 |
logSw: | -6.9113 |
Hydrogen bond acceptors count: | 3 |
Polar surface area: | 26.9202 |
InChI Key: | MHNQMMPRWOGUCP-HXUWFJFHSA-N |