2-({5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-nitrophenyl}sulfanyl)ethan-1-ol
Chemical Structure Depiction of
2-({5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-nitrophenyl}sulfanyl)ethan-1-ol
2-({5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-nitrophenyl}sulfanyl)ethan-1-ol
Compound characteristics
| Compound ID: | 8007-6994 |
| Compound Name: | 2-({5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-nitrophenyl}sulfanyl)ethan-1-ol |
| Molecular Weight: | 327.4 |
| Molecular Formula: | C14 H21 N3 O4 S |
| Smiles: | C1CN(CCN1CCO)c1ccc(c(c1)SCCO)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.7817 |
| logD: | 0.6208 |
| logSw: | -1.9419 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.873 |
| InChI Key: | WWCDDOHHXWPJNK-UHFFFAOYSA-N |