ethyl 4-{5-[(cyanomethyl)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-[(cyanomethyl)sulfanyl]-2-sulfanylidene[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-3(2H)-yl}benzoate
ethyl 4-{5-[(cyanomethyl)sulfanyl]-2-sulfanylidene[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-3(2H)-yl}benzoate
Compound characteristics
Compound ID: | K286-0380 |
Compound Name: | ethyl 4-{5-[(cyanomethyl)sulfanyl]-2-sulfanylidene[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-3(2H)-yl}benzoate |
Molecular Weight: | 477.58 |
Molecular Formula: | C22 H15 N5 O2 S3 |
Smiles: | CCOC(c1ccc(cc1)N1C2=C(c3nc4ccccc4n3C(=N2)SCC#N)SC1=S)=O |
Stereo: | ACHIRAL |
logP: | 4.6371 |
logD: | 4.6368 |
logSw: | -4.4089 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 61.168 |
InChI Key: | QOHJIUXMCLCJMW-UHFFFAOYSA-N |