2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | D360-5533 |
| Compound Name: | 2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile |
| Molecular Weight: | 338.43 |
| Molecular Formula: | C19 H18 N2 O2 S |
| Smiles: | COc1ccc(cc1)C(CSc1c(C#N)cc2CCCCc2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0187 |
| logD: | 4.0187 |
| logSw: | -4.2674 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.982 |
| InChI Key: | ZLMWCFPAERSQAE-UHFFFAOYSA-N |