2-{[6-(hydroxymethyl)-9-methyl-2-(4-methylphenyl)-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[6-(hydroxymethyl)-9-methyl-2-(4-methylphenyl)-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(3-methylphenyl)acetamide
2-{[6-(hydroxymethyl)-9-methyl-2-(4-methylphenyl)-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | E544-0322 |
| Compound Name: | 2-{[6-(hydroxymethyl)-9-methyl-2-(4-methylphenyl)-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(3-methylphenyl)acetamide |
| Molecular Weight: | 498.6 |
| Molecular Formula: | C28 H26 N4 O3 S |
| Smiles: | Cc1ccc(cc1)c1nc2c(Cc3c(CO)cnc(C)c3O2)c(n1)SCC(Nc1cccc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7111 |
| logD: | 5.7082 |
| logSw: | -5.2608 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.794 |
| InChI Key: | WWLNTNUASDGFJJ-UHFFFAOYSA-N |