2-{[3-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-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: | K286-3570 |
| Compound Name: | 2-{[3-(4-ethoxyphenyl)-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: | 474.58 |
| Molecular Formula: | C20 H18 N4 O4 S3 |
| Smiles: | CCOc1ccc(cc1)N1C2=C(C(NC(=N2)SCC(NCc2ccco2)=O)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 3.0868 |
| logD: | 3.0852 |
| logSw: | -3.4098 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.64 |
| InChI Key: | NHTKFQSVGUXBFO-UHFFFAOYSA-N |