5-(3-ethoxy-4-hydroxyphenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
Chemical Structure Depiction of
5-(3-ethoxy-4-hydroxyphenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
5-(3-ethoxy-4-hydroxyphenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione
Compound characteristics
| Compound ID: | D271-0096 |
| Compound Name: | 5-(3-ethoxy-4-hydroxyphenyl)-2-{[(4-fluorophenyl)methyl]sulfanyl}-5,8-dihydropyrido[2,3-d]pyrimidine-4,7(3H,6H)-dione |
| Molecular Weight: | 441.48 |
| Molecular Formula: | C22 H20 F N3 O4 S |
| Smiles: | CCOc1cc(ccc1O)C1CC(NC2=C1C(NC(=N2)SCc1ccc(cc1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0469 |
| logD: | 2.037 |
| logSw: | -2.7337 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.627 |
| InChI Key: | OLQADQLPLLLBEJ-OAHLLOKOSA-N |