2-{[9-ethoxy-2-(4-ethoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N,N-diethylacetamide
Chemical Structure Depiction of
2-{[9-ethoxy-2-(4-ethoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N,N-diethylacetamide
2-{[9-ethoxy-2-(4-ethoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N,N-diethylacetamide
Compound characteristics
| Compound ID: | C683-0421 |
| Compound Name: | 2-{[9-ethoxy-2-(4-ethoxyphenyl)-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N,N-diethylacetamide |
| Molecular Weight: | 493.62 |
| Molecular Formula: | C27 H31 N3 O4 S |
| Smiles: | CCN(CC)C(CSc1c2Cc3cccc(c3Oc2nc(c2ccc(cc2)OCC)n1)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5249 |
| logD: | 6.5218 |
| logSw: | -5.7679 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.825 |
| InChI Key: | NRAMATCBUAUUNY-UHFFFAOYSA-N |