N-(2,4-dimethoxyphenyl)-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-(2,4-dimethoxyphenyl)-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-(2,4-dimethoxyphenyl)-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: | K286-0366 |
| Compound Name: | N-(2,4-dimethoxyphenyl)-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: | 603.74 |
| Molecular Formula: | C29 H25 N5 O4 S3 |
| Smiles: | CCOc1ccc(cc1)N1C2=C(c3nc4ccccc4n3C(=N2)SCC(Nc2ccc(cc2OC)OC)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.5614 |
| logD: | 5.5613 |
| logSw: | -5.3616 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.4 |
| InChI Key: | VFWWYAIHULKLJY-UHFFFAOYSA-N |