9-ethoxy-2-(3-ethoxy-2-hydroxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Chemical Structure Depiction of
9-ethoxy-2-(3-ethoxy-2-hydroxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
9-ethoxy-2-(3-ethoxy-2-hydroxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Compound characteristics
| Compound ID: | C766-0175 |
| Compound Name: | 9-ethoxy-2-(3-ethoxy-2-hydroxyphenyl)-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione |
| Molecular Weight: | 396.46 |
| Molecular Formula: | C21 H20 N2 O4 S |
| Smiles: | CCOc1cccc(C2NC(C3Cc4cccc(c4OC=3N=2)OCC)=S)c1O |
| Stereo: | ACHIRAL |
| logP: | 4.3868 |
| logD: | 4.3868 |
| logSw: | -4.2832 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.219 |
| InChI Key: | CLFKSPGVOIXSEO-UHFFFAOYSA-N |