N-(2,3-dimethylphenyl)-2-{[2-(4-ethoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,3-dimethylphenyl)-2-{[2-(4-ethoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
N-(2,3-dimethylphenyl)-2-{[2-(4-ethoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C683-0381 |
| Compound Name: | N-(2,3-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(Nc1cccc(C)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 7.6708 |
| logD: | 7.6677 |
| logSw: | -5.8447 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.706 |
| InChI Key: | MXQJSSSMQQLEBI-UHFFFAOYSA-N |