3-[4-oxo-5-(4-oxo-3-{3-oxo-3-[(1,3-thiazol-2-yl)amino]propyl}-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)propanamide
Chemical Structure Depiction of
3-[4-oxo-5-(4-oxo-3-{3-oxo-3-[(1,3-thiazol-2-yl)amino]propyl}-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)propanamide
3-[4-oxo-5-(4-oxo-3-{3-oxo-3-[(1,3-thiazol-2-yl)amino]propyl}-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)propanamide
Compound characteristics
| Compound ID: | 2159-3006 |
| Compound Name: | 3-[4-oxo-5-(4-oxo-3-{3-oxo-3-[(1,3-thiazol-2-yl)amino]propyl}-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)propanamide |
| Molecular Weight: | 570.73 |
| Molecular Formula: | C18 H14 N6 O4 S6 |
| Smiles: | C(CN1C(/C(=C2/C(N(CCC(Nc3nccs3)=O)C(=S)S2)=O)SC1=S)=O)C(Nc1nccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0099 |
| logD: | 2.0078 |
| logSw: | -2.5429 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.13 |
| InChI Key: | ASLABQHRJUITIB-UHFFFAOYSA-N |