6-(3,4-dimethoxyphenyl)-5-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}-3-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
6-(3,4-dimethoxyphenyl)-5-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}-3-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
6-(3,4-dimethoxyphenyl)-5-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}-3-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-0311 |
| Compound Name: | 6-(3,4-dimethoxyphenyl)-5-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}-3-phenyl-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 615.71 |
| Molecular Formula: | C30 H21 N3 O6 S3 |
| Smiles: | COc1ccc(cc1OC)N1C(=NC2=C(C1=O)SC(N2c1ccccc1)=S)SCC(C1=Cc2ccccc2OC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4547 |
| logD: | 4.4547 |
| logSw: | -4.5539 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 76.384 |
| InChI Key: | APQBLEJUFJZYAZ-UHFFFAOYSA-N |