6-(2-methoxyphenyl)-5-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
6-(2-methoxyphenyl)-5-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
6-(2-methoxyphenyl)-5-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-0289 |
| Compound Name: | 6-(2-methoxyphenyl)-5-{[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]sulfanyl}-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 613.73 |
| Molecular Formula: | C31 H23 N3 O5 S3 |
| Smiles: | COc1ccccc1N1C(=NC2=C(C1=O)SC(N2CCc1ccccc1)=S)SCC(C1=Cc2ccccc2OC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3527 |
| logD: | 5.3527 |
| logSw: | -5.2919 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 69.043 |
| InChI Key: | VIPBWUJSDDQFMS-UHFFFAOYSA-N |