ethyl 4-[5-{[2-(cyclohexylamino)-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-(cyclohexylamino)-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-(cyclohexylamino)-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: | K286-0389 |
| Compound Name: | ethyl 4-[5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-2-sulfanylidene[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-3(2H)-yl]benzoate |
| Molecular Weight: | 577.75 |
| Molecular Formula: | C28 H27 N5 O3 S3 |
| Smiles: | CCOC(c1ccc(cc1)N1C2=C(c3nc4ccccc4n3C(=N2)SCC(NC2CCCCC2)=O)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9445 |
| logD: | 5.944 |
| logSw: | -5.4141 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.602 |
| InChI Key: | AVDUHJBZILTRON-UHFFFAOYSA-N |