ethyl 4-[5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-2-sulfanylidene[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-3(2H)-yl]benzoate
Chemical Structure Depiction of
ethyl 4-[5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-2-sulfanylidene[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-3(2H)-yl]benzoate
ethyl 4-[5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-2-sulfanylidene[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-3(2H)-yl]benzoate
Compound characteristics
| Compound ID: | K286-0384 |
| Compound Name: | ethyl 4-[5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-2-sulfanylidene[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-3(2H)-yl]benzoate |
| Molecular Weight: | 578.71 |
| Molecular Formula: | C25 H18 N6 O3 S4 |
| Smiles: | CCOC(c1ccc(cc1)N1C2=C(c3nc4ccccc4n3C(=N2)SCC(Nc2nccs2)=O)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2145 |
| logD: | 5.2141 |
| logSw: | -5.0786 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.033 |
| InChI Key: | ZFONMKZUXUFTDB-UHFFFAOYSA-N |