ethyl 4-[5-(methylsulfanyl)-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-(methylsulfanyl)-2-sulfanylidene[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-3(2H)-yl]benzoate
ethyl 4-[5-(methylsulfanyl)-2-sulfanylidene[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-3(2H)-yl]benzoate
Compound characteristics
| Compound ID: | K286-0379 |
| Compound Name: | ethyl 4-[5-(methylsulfanyl)-2-sulfanylidene[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-3(2H)-yl]benzoate |
| Molecular Weight: | 452.57 |
| Molecular Formula: | C21 H16 N4 O2 S3 |
| Smiles: | CCOC(c1ccc(cc1)N1C2=C(c3nc4ccccc4n3C(=N2)SC)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.123 |
| logD: | 5.1227 |
| logSw: | -5.0302 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 43.676 |
| InChI Key: | PVSAQIRSSFWFSD-UHFFFAOYSA-N |