5-(2,6-dimethylmorpholin-4-yl)-2-{(E)-[4-oxo-3-(2-phenylethyl)-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)-[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1,3-oxazole-4-carbonitrile
5-(2,6-dimethylmorpholin-4-yl)-2-{(E)-[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | Y070-3767 |
| Compound Name: | 5-(2,6-dimethylmorpholin-4-yl)-2-{(E)-[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 454.57 |
| Molecular Formula: | C22 H22 N4 O3 S2 |
| Smiles: | CC1CN(CC(C)O1)c1c(C#N)nc(\C=C2/C(N(CCc3ccccc3)C(=S)S2)=O)o1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5823 |
| logD: | 3.5823 |
| logSw: | -3.8295 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.807 |
| InChI Key: | YPVFASATRXVERZ-UHFFFAOYSA-N |