2-{[3-(2-fluoro-5-methylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-{[3-(2-fluoro-5-methylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
2-{[3-(2-fluoro-5-methylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | K286-3893 |
| Compound Name: | 2-{[3-(2-fluoro-5-methylphenyl)-6-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 556.7 |
| Molecular Formula: | C26 H25 F N4 O3 S3 |
| Smiles: | Cc1ccc(cc1)N1C(=NC2=C(C1=O)SC(N2c1cc(C)ccc1F)=S)SCC(NCC1CCCO1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1366 |
| logD: | 4.1366 |
| logSw: | -4.233 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.779 |
| InChI Key: | VMUPWSSUZPHPSY-GOSISDBHSA-N |