N-(2,6-dimethylphenyl)-2-{[2-(4-fluorophenyl)-7-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,6-dimethylphenyl)-2-{[2-(4-fluorophenyl)-7-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
N-(2,6-dimethylphenyl)-2-{[2-(4-fluorophenyl)-7-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | C683-0625 |
Compound Name: | N-(2,6-dimethylphenyl)-2-{[2-(4-fluorophenyl)-7-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide |
Molecular Weight: | 485.58 |
Molecular Formula: | C28 H24 F N3 O2 S |
Smiles: | Cc1ccc2c(Cc3c(nc(c4ccc(cc4)F)nc3SCC(Nc3c(C)cccc3C)=O)O2)c1 |
Stereo: | ACHIRAL |
logP: | 7.1698 |
logD: | 7.1667 |
logSw: | -5.6442 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 47.884 |
InChI Key: | RBQWNFHNZSWRDR-UHFFFAOYSA-N |