2-({3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-5-(piperidin-1-yl)-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
2-({3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-5-(piperidin-1-yl)-1,3-oxazole-4-carbonitrile
2-({3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-5-(piperidin-1-yl)-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | Y070-3730 |
| Compound Name: | 2-({3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-5-(piperidin-1-yl)-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 440.54 |
| Molecular Formula: | C21 H20 N4 O3 S2 |
| Smiles: | COc1ccc(CN2C(/C(=C\c3nc(C#N)c(N4CCCCC4)o3)SC2=S)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1946 |
| logD: | 4.1946 |
| logSw: | -4.1793 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.44 |
| InChI Key: | XTEUBLFAHKVAET-UHFFFAOYSA-N |