2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-4-(2-methylpropyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-4-(2-methylpropyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-4-(2-methylpropyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8010-1699 |
| Compound Name: | 2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-4-(2-methylpropyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile |
| Molecular Weight: | 394.53 |
| Molecular Formula: | C23 H26 N2 O2 S |
| Smiles: | CC(C)Cc1c2CCCCc2nc(c1C#N)SCC(c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6676 |
| logD: | 5.6676 |
| logSw: | -5.4146 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.982 |
| InChI Key: | USCXXYDQEPBHLK-UHFFFAOYSA-N |