ethyl 4-[5-{[2-oxo-2-(pyrrolidin-1-yl)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-(pyrrolidin-1-yl)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-(pyrrolidin-1-yl)ethyl]sulfanyl}-2-sulfanylidene[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-3(2H)-yl]benzoate
Compound characteristics
| Compound ID: | K286-0391 |
| Compound Name: | ethyl 4-[5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-2-sulfanylidene[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-3(2H)-yl]benzoate |
| Molecular Weight: | 549.69 |
| Molecular Formula: | C26 H23 N5 O3 S3 |
| Smiles: | CCOC(c1ccc(cc1)N1C2=C(c3nc4ccccc4n3C(=N2)SCC(N2CCCC2)=O)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0925 |
| logD: | 5.0903 |
| logSw: | -4.8409 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 60.163 |
| InChI Key: | JWKBEEFRHZDICM-UHFFFAOYSA-N |