5-(4-methylanilino)-2-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-(4-methylanilino)-2-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,3-oxazole-4-carbonitrile
5-(4-methylanilino)-2-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | Y070-0829 |
| Compound Name: | 5-(4-methylanilino)-2-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 356.42 |
| Molecular Formula: | C16 H12 N4 O2 S2 |
| Smiles: | Cc1ccc(cc1)Nc1c(C#N)nc(/C=C2/C(N(C)C(=S)S2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.2087 |
| logD: | 3.2087 |
| logSw: | -3.4451 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.134 |
| InChI Key: | MQXBZDIIDWDAIG-UHFFFAOYSA-N |