ethyl 4-[5-({2-[4-(dimethylamino)anilino]-2-oxoethyl}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-[4-(dimethylamino)anilino]-2-oxoethyl}sulfanyl)-2-sulfanylidene[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-3(2H)-yl]benzoate
ethyl 4-[5-({2-[4-(dimethylamino)anilino]-2-oxoethyl}sulfanyl)-2-sulfanylidene[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-3(2H)-yl]benzoate
Compound characteristics
| Compound ID: | K286-0388 |
| Compound Name: | ethyl 4-[5-({2-[4-(dimethylamino)anilino]-2-oxoethyl}sulfanyl)-2-sulfanylidene[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-3(2H)-yl]benzoate |
| Molecular Weight: | 614.77 |
| Molecular Formula: | C30 H26 N6 O3 S3 |
| Smiles: | CCOC(c1ccc(cc1)N1C2=C(c3nc4ccccc4n3C(=N2)SCC(Nc2ccc(cc2)N(C)C)=O)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1386 |
| logD: | 6.1301 |
| logSw: | -5.6279 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.359 |
| InChI Key: | FYLYEKIPTUYYOV-UHFFFAOYSA-N |