2-{[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]sulfanyl}ethan-1-ol
Chemical Structure Depiction of
2-{[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]sulfanyl}ethan-1-ol
2-{[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]sulfanyl}ethan-1-ol
Compound characteristics
| Compound ID: | 8003-0264 |
| Compound Name: | 2-{[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]sulfanyl}ethan-1-ol |
| Molecular Weight: | 297.37 |
| Molecular Formula: | C13 H19 N3 O3 S |
| Smiles: | CN1CCN(CC1)c1ccc(c(c1)SCCO)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.24 |
| logD: | 0.672 |
| logSw: | -2.2067 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.904 |
| InChI Key: | UOXLQDAUEFLGBN-UHFFFAOYSA-N |