ethyl 1-[1-(benzylsulfanyl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-[1-(benzylsulfanyl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]piperidine-4-carboxylate
ethyl 1-[1-(benzylsulfanyl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]piperidine-4-carboxylate
Compound characteristics
Compound ID: | 4872-0764 |
Compound Name: | ethyl 1-[1-(benzylsulfanyl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]piperidine-4-carboxylate |
Molecular Weight: | 479.81 |
Molecular Formula: | C19 H21 Cl3 N2 O4 S |
Smiles: | CCOC(C1CCN(CC1)/C(=C(/C(=C([Cl])[Cl])[Cl])[N+]([O-])=O)SCc1ccccc1)=O |
Stereo: | ACHIRAL |
logP: | 5.7077 |
logD: | 5.7077 |
logSw: | -5.7759 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 57.053 |
InChI Key: | VQEYKRLZMSCUBM-UHFFFAOYSA-N |