2-{[2-(2-fluorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[2-(2-fluorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide
2-{[2-(2-fluorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | E544-0450 |
| Compound Name: | 2-{[2-(2-fluorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 534.63 |
| Molecular Formula: | C27 H23 F N4 O3 S2 |
| Smiles: | Cc1c2c(Cc3c(nc(c4ccccc4F)nc3SCC(Nc3cccc(c3)SC)=O)O2)c(CO)cn1 |
| Stereo: | ACHIRAL |
| logP: | 4.5202 |
| logD: | 4.5173 |
| logSw: | -4.3485 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.794 |
| InChI Key: | CGDNDYJIITWNOX-UHFFFAOYSA-N |