2-({3-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
2-({3-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile
2-({3-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | Y070-3430 |
| Compound Name: | 2-({3-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-5-(4-methoxyanilino)-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 466.51 |
| Molecular Formula: | C22 H15 F N4 O3 S2 |
| Smiles: | COc1ccc(cc1)Nc1c(C#N)nc(\C=C2/C(N(Cc3ccc(cc3)F)C(=S)S2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.7324 |
| logD: | 4.7324 |
| logSw: | -4.441 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.64 |
| InChI Key: | JUNQQBVEPMPFLN-UHFFFAOYSA-N |