8-{[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]sulfanyl}quinoline
Chemical Structure Depiction of
8-{[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]sulfanyl}quinoline
8-{[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]sulfanyl}quinoline
Compound characteristics
| Compound ID: | 8006-5456 |
| Compound Name: | 8-{[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]sulfanyl}quinoline |
| Molecular Weight: | 380.47 |
| Molecular Formula: | C20 H20 N4 O2 S |
| Smiles: | CN1CCN(CC1)c1ccc(c(c1)Sc1cccc2cccnc12)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5538 |
| logD: | 2.9857 |
| logSw: | -3.6398 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.51 |
| InChI Key: | ZULOVBFMKRZWJC-UHFFFAOYSA-N |