[2-bromo-6-methoxy-4-({2-[(2-methylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}methyl)phenoxy]acetonitrile
Chemical Structure Depiction of
[2-bromo-6-methoxy-4-({2-[(2-methylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}methyl)phenoxy]acetonitrile
[2-bromo-6-methoxy-4-({2-[(2-methylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}methyl)phenoxy]acetonitrile
Compound characteristics
Compound ID: | Y509-0879 |
Compound Name: | [2-bromo-6-methoxy-4-({2-[(2-methylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}methyl)phenoxy]acetonitrile |
Molecular Weight: | 458.33 |
Molecular Formula: | C20 H16 Br N3 O3 S |
Smiles: | Cc1ccccc1/N=C1/NC(/C(=C\c2cc(c(c(c2)[Br])OCC#N)OC)S1)=O |
Stereo: | ACHIRAL |
logP: | 3.7436 |
logD: | 3.7425 |
logSw: | -4.047 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 65.168 |
InChI Key: | FLBIXQDMYPTBLE-UHFFFAOYSA-N |