N-(3,5-dimethylphenyl)-2-{[2-(4-ethoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3,5-dimethylphenyl)-2-{[2-(4-ethoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
N-(3,5-dimethylphenyl)-2-{[2-(4-ethoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C683-0387 |
| Compound Name: | N-(3,5-dimethylphenyl)-2-{[2-(4-ethoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 497.62 |
| Molecular Formula: | C29 H27 N3 O3 S |
| Smiles: | CCOc1ccc(cc1)c1nc2c(Cc3ccccc3O2)c(n1)SCC(Nc1cc(C)cc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.7333 |
| logD: | 7.7302 |
| logSw: | -5.7161 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.404 |
| InChI Key: | XNWRMZOJLJICGC-UHFFFAOYSA-N |