3-(2,5-dimethoxyphenyl)-6-(2-methylphenyl)-5-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3-(2,5-dimethoxyphenyl)-6-(2-methylphenyl)-5-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-(2,5-dimethoxyphenyl)-6-(2-methylphenyl)-5-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-3321 |
| Compound Name: | 3-(2,5-dimethoxyphenyl)-6-(2-methylphenyl)-5-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 629.73 |
| Molecular Formula: | C31 H23 N3 O6 S3 |
| Smiles: | Cc1ccccc1N1C(=NC2=C(C1=O)SC(N2c1cc(ccc1OC)OC)=S)SCC(C1=Cc2ccccc2OC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5393 |
| logD: | 5.5393 |
| logSw: | -5.4545 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 75.696 |
| InChI Key: | WKBFXXLQTPGACE-UHFFFAOYSA-N |