2-{[3-(4-ethylphenyl)-6-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
Chemical Structure Depiction of
2-{[3-(4-ethylphenyl)-6-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
2-{[3-(4-ethylphenyl)-6-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | K286-2001 |
| Compound Name: | 2-{[3-(4-ethylphenyl)-6-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide |
| Molecular Weight: | 551.73 |
| Molecular Formula: | C25 H21 N5 O2 S4 |
| Smiles: | CCc1ccc(cc1)N1C2=C(C(N(C(=N2)SCC(Nc2nccs2)=O)c2ccccc2C)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 5.4323 |
| logD: | 5.432 |
| logSw: | -5.3371 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.281 |
| InChI Key: | CWBBDLQNFGGWMN-UHFFFAOYSA-N |