2-{[5-(2,4-dimethylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(2,4-dimethylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide
2-{[5-(2,4-dimethylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide
Compound characteristics
Compound ID: | C716-0825 |
Compound Name: | 2-{[5-(2,4-dimethylbenzene-1-sulfonyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide |
Molecular Weight: | 461.53 |
Molecular Formula: | C21 H20 F N3 O4 S2 |
Smiles: | Cc1ccc(c(C)c1)S(C1=CN=C(NC1=O)SCC(Nc1ccc(C)c(c1)F)=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 3.5083 |
logD: | 1.8666 |
logSw: | -3.7287 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 87.14 |
InChI Key: | KFBNTNJCONHQOL-UHFFFAOYSA-N |