2-{[2-(4-ethoxyphenyl)-7-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[2-(4-ethoxyphenyl)-7-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(4-methylphenyl)acetamide
2-{[2-(4-ethoxyphenyl)-7-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | C683-0400 |
| Compound Name: | 2-{[2-(4-ethoxyphenyl)-7-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N-(4-methylphenyl)acetamide |
| Molecular Weight: | 497.62 |
| Molecular Formula: | C29 H27 N3 O3 S |
| Smiles: | CCOc1ccc(cc1)c1nc2c(Cc3cc(C)ccc3O2)c(n1)SCC(Nc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.7484 |
| logD: | 7.7453 |
| logSw: | -5.6301 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.404 |
| InChI Key: | WKCBUXTYWLLINJ-UHFFFAOYSA-N |