2-{[3-(4-ethoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-5-yl]sulfanyl}-1-phenylethan-1-one
Chemical Structure Depiction of
2-{[3-(4-ethoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-5-yl]sulfanyl}-1-phenylethan-1-one
2-{[3-(4-ethoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-5-yl]sulfanyl}-1-phenylethan-1-one
Compound characteristics
| Compound ID: | K286-0371 |
| Compound Name: | 2-{[3-(4-ethoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-5-yl]sulfanyl}-1-phenylethan-1-one |
| Molecular Weight: | 528.67 |
| Molecular Formula: | C27 H20 N4 O2 S3 |
| Smiles: | CCOc1ccc(cc1)N1C2=C(c3nc4ccccc4n3C(=N2)SCC(c2ccccc2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.8383 |
| logD: | 5.8377 |
| logSw: | -5.5419 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 43.022 |
| InChI Key: | FTJVVBIIHSSDGW-UHFFFAOYSA-N |