2-{[2-(4-methylphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[2-(4-methylphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide
2-{[2-(4-methylphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | C683-0561 |
| Compound Name: | 2-{[2-(4-methylphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 485.63 |
| Molecular Formula: | C27 H23 N3 O2 S2 |
| Smiles: | Cc1ccc(cc1)c1nc2c(Cc3ccccc3O2)c(n1)SCC(Nc1cccc(c1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 7.5556 |
| logD: | 7.5526 |
| logSw: | -5.6938 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.28 |
| InChI Key: | XXQZWLGFTZFXQS-UHFFFAOYSA-N |