2-{[6-(2-fluorophenyl)-3-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(2-methoxyethyl)acetamide
Chemical Structure Depiction of
2-{[6-(2-fluorophenyl)-3-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(2-methoxyethyl)acetamide
2-{[6-(2-fluorophenyl)-3-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(2-methoxyethyl)acetamide
Compound characteristics
| Compound ID: | K286-3613 |
| Compound Name: | 2-{[6-(2-fluorophenyl)-3-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-(2-methoxyethyl)acetamide |
| Molecular Weight: | 516.63 |
| Molecular Formula: | C23 H21 F N4 O3 S3 |
| Smiles: | Cc1ccccc1N1C2=C(C(N(C(=N2)SCC(NCCOC)=O)c2ccccc2F)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 3.4016 |
| logD: | 3.4016 |
| logSw: | -3.7869 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.28 |
| InChI Key: | KLZPYIMHXHRJIT-UHFFFAOYSA-N |