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-(pyrrolidin-1-yl)ethan-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-(pyrrolidin-1-yl)ethan-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-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | K286-0370 |
| 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-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 521.68 |
| Molecular Formula: | C25 H23 N5 O2 S3 |
| Smiles: | CCOc1ccc(cc1)N1C2=C(c3nc4ccccc4n3C(=N2)SCC(N2CCCC2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.86 |
| logD: | 4.8579 |
| logSw: | -4.4866 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 46.533 |
| InChI Key: | QCRZSMZYSHQZKS-UHFFFAOYSA-N |