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-(pyrrolidin-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-(pyrrolidin-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-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | K286-3431 |
| 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-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 491.65 |
| Molecular Formula: | C24 H21 N5 O S3 |
| Smiles: | Cc1ccccc1N1C2=C(c3nc4ccccc4n3C(=N2)SCC(N2CCCC2)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.9192 |
| logD: | 4.9166 |
| logSw: | -4.5772 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 39.109 |
| InChI Key: | MWYQSWVJQOQJNZ-UHFFFAOYSA-N |