N-[4-(dimethylamino)phenyl]-2-{[3-(4-ethoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[4-(dimethylamino)phenyl]-2-{[3-(4-ethoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-5-yl]sulfanyl}acetamide
N-[4-(dimethylamino)phenyl]-2-{[3-(4-ethoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K286-0375 |
| Compound Name: | N-[4-(dimethylamino)phenyl]-2-{[3-(4-ethoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 586.76 |
| Molecular Formula: | C29 H26 N6 O2 S3 |
| Smiles: | CCOc1ccc(cc1)N1C2=C(c3nc4ccccc4n3C(=N2)SCC(Nc2ccc(cc2)N(C)C)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.9062 |
| logD: | 5.8976 |
| logSw: | -5.4653 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.729 |
| InChI Key: | MJEOTLGFBVULSK-UHFFFAOYSA-N |