2-{[6-(hydroxymethyl)-9-methyl-2-phenyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[6-(hydroxymethyl)-9-methyl-2-phenyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
2-{[6-(hydroxymethyl)-9-methyl-2-phenyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
Compound ID: | E544-0037 |
Compound Name: | 2-{[6-(hydroxymethyl)-9-methyl-2-phenyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide |
Molecular Weight: | 538.55 |
Molecular Formula: | C27 H21 F3 N4 O3 S |
Smiles: | Cc1c2c(Cc3c(nc(c4ccccc4)nc3SCC(Nc3cccc(c3)C(F)(F)F)=O)O2)c(CO)cn1 |
Stereo: | ACHIRAL |
logP: | 5.866 |
logD: | 5.8631 |
logSw: | -5.529 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 75.794 |
InChI Key: | XWIULPGVWZXLAX-UHFFFAOYSA-N |