ethyl 4-{5-[(4-ethoxy-2,4-dioxobutyl)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-[(4-ethoxy-2,4-dioxobutyl)sulfanyl]-2-sulfanylidene[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-3(2H)-yl}benzoate
ethyl 4-{5-[(4-ethoxy-2,4-dioxobutyl)sulfanyl]-2-sulfanylidene[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-3(2H)-yl}benzoate
Compound characteristics
| Compound ID: | K286-0382 |
| Compound Name: | ethyl 4-{5-[(4-ethoxy-2,4-dioxobutyl)sulfanyl]-2-sulfanylidene[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-3(2H)-yl}benzoate |
| Molecular Weight: | 566.68 |
| Molecular Formula: | C26 H22 N4 O5 S3 |
| Smiles: | CCOC(CC(CSC1=NC2=C(c3nc4ccccc4n13)SC(N2c1ccc(cc1)C(=O)OCC)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8469 |
| logD: | 4.8469 |
| logSw: | -4.6427 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 76.59 |
| InChI Key: | WRMITEZDZMZRDW-UHFFFAOYSA-N |