2-{[2-(4-ethoxyphenyl)-7-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N,N-diethylacetamide
Chemical Structure Depiction of
2-{[2-(4-ethoxyphenyl)-7-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N,N-diethylacetamide
2-{[2-(4-ethoxyphenyl)-7-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N,N-diethylacetamide
Compound characteristics
| Compound ID: | C683-0404 |
| Compound Name: | 2-{[2-(4-ethoxyphenyl)-7-methyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl]sulfanyl}-N,N-diethylacetamide |
| Molecular Weight: | 463.6 |
| Molecular Formula: | C26 H29 N3 O3 S |
| Smiles: | CCN(CC)C(CSc1c2Cc3cc(C)ccc3Oc2nc(c2ccc(cc2)OCC)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4684 |
| logD: | 6.4653 |
| logSw: | -5.6546 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.931 |
| InChI Key: | WBHUKSSTPPVPJY-UHFFFAOYSA-N |