2-{[2-nitro-5-(piperidin-1-yl)phenyl]sulfanyl}ethan-1-ol
Chemical Structure Depiction of
2-{[2-nitro-5-(piperidin-1-yl)phenyl]sulfanyl}ethan-1-ol
2-{[2-nitro-5-(piperidin-1-yl)phenyl]sulfanyl}ethan-1-ol
Compound characteristics
Compound ID: | 8003-0259 |
Compound Name: | 2-{[2-nitro-5-(piperidin-1-yl)phenyl]sulfanyl}ethan-1-ol |
Molecular Weight: | 282.36 |
Molecular Formula: | C13 H18 N2 O3 S |
Smiles: | C1CCN(CC1)c1ccc(c(c1)SCCO)[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 2.422 |
logD: | 2.422 |
logSw: | -2.5561 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 53.427 |
InChI Key: | AZNXXUDYCUMHOF-UHFFFAOYSA-N |