2-{[3-(5-chloro-2-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-{[3-(5-chloro-2-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide
2-{[3-(5-chloro-2-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | K286-3586 |
| Compound Name: | 2-{[3-(5-chloro-2-methoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide |
| Molecular Weight: | 495 |
| Molecular Formula: | C19 H15 Cl N4 O4 S3 |
| Smiles: | COc1ccc(cc1N1C2=C(C(NC(=N2)SCC(NCc2ccco2)=O)=O)SC1=S)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.1791 |
| logD: | 3.1775 |
| logSw: | -3.5735 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.846 |
| InChI Key: | QQLAYXBIRYGTFL-UHFFFAOYSA-N |