2-{[6-(hydroxymethyl)-9-methyl-2-phenyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-[3-(methylsulfanyl)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-(methylsulfanyl)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-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | E544-0045 |
| 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-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 516.64 |
| Molecular Formula: | C27 H24 N4 O3 S2 |
| Smiles: | Cc1c2c(Cc3c(nc(c4ccccc4)nc3SCC(Nc3cccc(c3)SC)=O)O2)c(CO)cn1 |
| Stereo: | ACHIRAL |
| logP: | 5.2837 |
| logD: | 5.2808 |
| logSw: | -5.1367 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.794 |
| InChI Key: | XXWNGLNCWSSMHV-UHFFFAOYSA-N |