2-{[6-(hydroxymethyl)-2-(3-methoxyphenyl)-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-{[6-(hydroxymethyl)-2-(3-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide
2-{[6-(hydroxymethyl)-2-(3-methoxyphenyl)-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: | E544-0135 |
| Compound Name: | 2-{[6-(hydroxymethyl)-2-(3-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 546.67 |
| Molecular Formula: | C28 H26 N4 O4 S2 |
| Smiles: | Cc1c2c(Cc3c(nc(c4cccc(c4)OC)nc3SCC(Nc3cccc(c3)SC)=O)O2)c(CO)cn1 |
| Stereo: | ACHIRAL |
| logP: | 5.4491 |
| logD: | 5.4462 |
| logSw: | -5.3525 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.338 |
| InChI Key: | MZLMEHYFEBUZRN-UHFFFAOYSA-N |