2-{[6-(hydroxymethyl)-2-(4-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(3-hydroxyphenyl)acetamide
Chemical Structure Depiction of
2-{[6-(hydroxymethyl)-2-(4-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(3-hydroxyphenyl)acetamide
2-{[6-(hydroxymethyl)-2-(4-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(3-hydroxyphenyl)acetamide
Compound characteristics
| Compound ID: | E544-0178 |
| Compound Name: | 2-{[6-(hydroxymethyl)-2-(4-methoxyphenyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(3-hydroxyphenyl)acetamide |
| Molecular Weight: | 516.58 |
| Molecular Formula: | C27 H24 N4 O5 S |
| Smiles: | Cc1c2c(Cc3c(nc(c4ccc(cc4)OC)nc3SCC(Nc3cccc(c3)O)=O)O2)c(CO)cn1 |
| Stereo: | ACHIRAL |
| logP: | 4.2935 |
| logD: | 4.2865 |
| logSw: | -4.1577 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.955 |
| InChI Key: | QICWBURLAZEJLT-UHFFFAOYSA-N |