2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8010-4345 |
| Compound Name: | 2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile |
| Molecular Weight: | 420.49 |
| Molecular Formula: | C23 H20 N2 O4 S |
| Smiles: | Cc1ccc(c2c3CCCCc3nc(c2C#N)SCC(c2ccc(c(c2)O)O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.7257 |
| logD: | 4.5434 |
| logSw: | -4.4373 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.356 |
| InChI Key: | MXVABMLZCFTALY-UHFFFAOYSA-N |