5-(azepan-1-yl)-2-({3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-(azepan-1-yl)-2-({3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-1,3-oxazole-4-carbonitrile
5-(azepan-1-yl)-2-({3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | Y070-3769 |
| Compound Name: | 5-(azepan-1-yl)-2-({3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 414.5 |
| Molecular Formula: | C19 H18 N4 O3 S2 |
| Smiles: | C1CCCN(CC1)c1c(C#N)nc(\C=C2/C(N(Cc3ccco3)C(=S)S2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.9615 |
| logD: | 3.9615 |
| logSw: | -4.0522 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.976 |
| InChI Key: | YZMWZFRKEGJSTJ-UHFFFAOYSA-N |