2-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-5-(4-ethoxyanilino)-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
2-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-5-(4-ethoxyanilino)-1,3-oxazole-4-carbonitrile
2-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-5-(4-ethoxyanilino)-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | Y070-0831 |
| Compound Name: | 2-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-5-(4-ethoxyanilino)-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 462.55 |
| Molecular Formula: | C23 H18 N4 O3 S2 |
| Smiles: | CCOc1ccc(cc1)Nc1c(C#N)nc(/C=C2/C(N(Cc3ccccc3)C(=S)S2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.0899 |
| logD: | 5.0899 |
| logSw: | -4.7916 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.22 |
| InChI Key: | CWXBREMMSZSWBJ-UHFFFAOYSA-N |