5-(2,6-dimethylmorpholin-4-yl)-2-[(E)-{3-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl]-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-(2,6-dimethylmorpholin-4-yl)-2-[(E)-{3-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl]-1,3-oxazole-4-carbonitrile
5-(2,6-dimethylmorpholin-4-yl)-2-[(E)-{3-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl]-1,3-oxazole-4-carbonitrile
Compound characteristics
Compound ID: | Y070-3776 |
Compound Name: | 5-(2,6-dimethylmorpholin-4-yl)-2-[(E)-{3-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl]-1,3-oxazole-4-carbonitrile |
Molecular Weight: | 458.53 |
Molecular Formula: | C21 H19 F N4 O3 S2 |
Smiles: | CC1CN(CC(C)O1)c1c(C#N)nc(\C=C2/C(N(Cc3ccc(cc3)F)C(=S)S2)=O)o1 |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.5123 |
logD: | 3.5123 |
logSw: | -3.7857 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 62.828 |
InChI Key: | GHQKOPJQEGSZAA-UHFFFAOYSA-N |