3,3-dimethyl-1-{[3-(2-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-5-yl]sulfanyl}butan-2-one
Chemical Structure Depiction of
3,3-dimethyl-1-{[3-(2-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-5-yl]sulfanyl}butan-2-one
3,3-dimethyl-1-{[3-(2-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-5-yl]sulfanyl}butan-2-one
Compound characteristics
| Compound ID: | K286-3432 |
| Compound Name: | 3,3-dimethyl-1-{[3-(2-methylphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazol-5-yl]sulfanyl}butan-2-one |
| Molecular Weight: | 478.66 |
| Molecular Formula: | C24 H22 N4 O S3 |
| Smiles: | Cc1ccccc1N1C2=C(c3nc4ccccc4n3C(=N2)SCC(C(C)(C)C)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 6.0035 |
| logD: | 6.0033 |
| logSw: | -5.5032 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 35.869 |
| InChI Key: | UWQUUQYNLOCWCP-UHFFFAOYSA-N |