2-{[3-(2-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-5-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[3-(2-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-5-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
2-{[3-(2-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-5-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | K286-3617 |
| Compound Name: | 2-{[3-(2-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-5-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethan-1-one |
| Molecular Weight: | 519.71 |
| Molecular Formula: | C26 H25 N5 O S3 |
| Smiles: | CC1CCN(CC1)C(CSC1=NC2=C(c3nc4ccccc4n13)SC(N2c1ccccc1C)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4685 |
| logD: | 5.4659 |
| logSw: | -5.3938 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 38.743 |
| InChI Key: | KNBMYESFUKBKMR-UHFFFAOYSA-N |