2-{[2-(4-ethoxyphenyl)-9-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
2-{[2-(4-ethoxyphenyl)-9-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
2-{[2-(4-ethoxyphenyl)-9-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C683-0876 |
| Compound Name: | 2-{[2-(4-ethoxyphenyl)-9-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C22 H21 N3 O3 S |
| Smiles: | CCOc1ccc(cc1)c1nc2c(Cc3cccc(C)c3O2)c(n1)SCC(N)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3314 |
| logD: | 5.3283 |
| logSw: | -5.2527 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.598 |
| InChI Key: | YOGNZFIKGHEODC-UHFFFAOYSA-N |