2-{[6-(2,5-dimethoxyphenyl)-7-oxo-3-phenyl-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-{[6-(2,5-dimethoxyphenyl)-7-oxo-3-phenyl-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide
2-{[6-(2,5-dimethoxyphenyl)-7-oxo-3-phenyl-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: | K286-0219 |
| Compound Name: | 2-{[6-(2,5-dimethoxyphenyl)-7-oxo-3-phenyl-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: | 566.68 |
| Molecular Formula: | C26 H22 N4 O5 S3 |
| Smiles: | COc1ccc(c(c1)N1C(=NC2=C(C1=O)SC(N2c1ccccc1)=S)SCC(NCc1ccco1)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.4106 |
| logD: | 4.4106 |
| logSw: | -4.3353 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.048 |
| InChI Key: | RRMXUODCDKJLPG-UHFFFAOYSA-N |