N-(5-fluoro-2-methylphenyl)-2-{[6-methyl-3-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(5-fluoro-2-methylphenyl)-2-{[6-methyl-3-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
N-(5-fluoro-2-methylphenyl)-2-{[6-methyl-3-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F143-0156 |
| Compound Name: | N-(5-fluoro-2-methylphenyl)-2-{[6-methyl-3-(4-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 486.61 |
| Molecular Formula: | C22 H19 F N4 O2 S3 |
| Smiles: | Cc1ccc(cc1)N1C2=C(C(N(C)C(=N2)SCC(Nc2cc(ccc2C)F)=O)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 3.8762 |
| logD: | 3.8761 |
| logSw: | -3.8477 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.055 |
| InChI Key: | CCKMLNBBCWDSRA-UHFFFAOYSA-N |