2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Compound characteristics
Compound ID: | F235-1509 |
Compound Name: | 2-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile |
Molecular Weight: | 368.45 |
Molecular Formula: | C20 H20 N2 O3 S |
Smiles: | COc1ccc(cc1OC)C(CSc1c(C#N)cc2CCCCc2n1)=O |
Stereo: | ACHIRAL |
logP: | 3.8956 |
logD: | 3.8956 |
logSw: | -4.022 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 55.7 |
InChI Key: | WEQQDAFXPVNLAE-UHFFFAOYSA-N |